2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate

C16H34N6O4 — CID 142056474

IUPAC2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
SMILESNCCCCCN(CC(=O)NCCOC(N)=O)C(=O)CNCCCCN
InChIInChI=1S/C16H34N6O4/c17-6-2-1-5-10-22(15(24)12-20-8-4-3-7-18)13-14(23)21-9-11-26-16(19)25/h20H,1-13,17-18H2,(H2,19,25)(H,21,23)
InChIKeyAZBAUSRFWWKXAO-UHFFFAOYSA-N
MW374.49 g/mol
LogP-1.52
Rot. Bonds16

About 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate

2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate (PubChem CID 142056474) has the molecular formula C16H34N6O4 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
PubChem CID142056474
Molecular FormulaC16H34N6O4
Molecular Weight374.49 g/mol
Exact Mass374.26
IUPAC Name2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
SMILESNCCCCCN(CC(=O)NCCOC(N)=O)C(=O)CNCCCCN
InChIInChI=1S/C16H34N6O4/c17-6-2-1-5-10-22(15(24)12-20-8-4-3-7-18)13-14(23)21-9-11-26-16(19)25/h20H,1-13,17-18H2,(H2,19,25)(H,21,23)
InChIKeyAZBAUSRFWWKXAO-UHFFFAOYSA-N
XLogP-1.52
TPSA165.80 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 5-1.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(2-aminoacetyl)-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate
CID 142056349
[6-amino-2-[[2-[7-aminoheptyl-[2-(7-aminoheptylamino)acetyl]amino]acetyl]amino]hexyl] carbamate
CID 22095007
[(2S)-6-amino-2-[[2-[4-aminobutyl-[2-(5-aminopentylamino)acetyl]amino]acetyl]amino]hexyl] hydrogen carbonate
CID 513307
[(2S)-6-amino-2-[[2-[[2-(4-aminobutylamino)acetyl]-(7-aminoheptyl)amino]acetyl]amino]hexyl] hydrogen carbonate
CID 513327
[(2R)-6-amino-2-[[2-[5-aminopentyl-[2-(5-aminopentylamino)acetyl]amino]acetyl]amino]hexyl] hydrogen carbonate
CID 513361
[(2S)-6-amino-2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]hexyl] hydrogen carbonate
CID 513318
[2-amino-5-(diaminomethylideneamino)pentyl] N-(7-aminoheptyl)-N-[2-(2-carbamoyloxyethylamino)-2-oxoethyl]carbamate
CID 142056421
2-(6-aminohexylamino)-N-[2-[[2-[6-aminohexyl-[2-[[2-[[2-[6-aminohexyl-[2-[[2-[[2-[6-aminohexyl-[2-[[2-[(2-amino-2-oxoethyl)-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-benzylamino]-2-oxoethyl]amino]-2-oxoethyl]-benzylamino]-2-oxoethyl]-N-benzylacetamide
CID 127050608
4-(3-aminopropylamino)butyl-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl]carbamic acid
CID 56651909
2-(3-aminopropylamino)ethyl carbamate
CID 83209629
2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[(2-amino-2-oxoethyl)-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(4-chlorophenyl)methyl]amino]-2-oxoethyl]-N-[(4-chlorophenyl)methyl]acetamide
CID 127051002
4-(3-aminopropylamino)butyl carbamate
CID 175431367

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
The IUPAC name of 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate (CID 142056474) is 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate is NCCCCCN(CC(=O)NCCOC(N)=O)C(=O)CNCCCCN.
What is the InChIKey of 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
The InChIKey is AZBAUSRFWWKXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N6O4/c17-6-2-1-5-10-22(15(24)12-20-8-4-3-7-18)13-14(23)21-9-11-26-16(19)25/h20H,1-13,17-18H2,(H2,19,25)(H,21,23).
What are the key properties of 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate?
2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate has a molecular weight of 374.49 g/mol, XLogP of -1.52, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-aminobutylamino)acetyl]-(5-aminopentyl)amino]acetyl]amino]ethyl carbamate is sourced from PubChem (CID 142056474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).