2-(3-aminopropylamino)ethyl carbamate

C6H15N3O2 — CID 83209629

IUPAC2-(3-aminopropylamino)ethyl carbamate
SMILESNCCCNCCOC(N)=O
InChIInChI=1S/C6H15N3O2/c7-2-1-3-9-4-5-11-6(8)10/h9H,1-5,7H2,(H2,8,10)
InChIKeyVCVARZDZRLLPSX-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.98
Rot. Bonds6

About 2-(3-aminopropylamino)ethyl carbamate

2-(3-aminopropylamino)ethyl carbamate (PubChem CID 83209629) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3-aminopropylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(3-aminopropylamino)ethyl carbamate
PubChem CID83209629
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-(3-aminopropylamino)ethyl carbamate
SMILESNCCCNCCOC(N)=O
InChIInChI=1S/C6H15N3O2/c7-2-1-3-9-4-5-11-6(8)10/h9H,1-5,7H2,(H2,8,10)
InChIKeyVCVARZDZRLLPSX-UHFFFAOYSA-N
XLogP-0.98
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminopropylamino)butyl carbamate
CID 175431367
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
2-(4-methylpentylamino)ethyl carbamate
CID 83210369
2-[(3-amino-3-oxopropyl)amino]ethyl carbamate
CID 83211468
2-(3-aminopropylamino)ethyl dihydrogen phosphate
CID 54046186
9-aminononyl carbamate
CID 87884060
3-[3-(3-aminopropylamino)propylamino]propanamide
CID 87496464
2-(3-aminopropylamino)acetamide
CID 59908103
[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
CID 175180105
5-(propylamino)pentyl carbamate
CID 175255674
2-[(3-amino-3-hydroxyiminopropyl)amino]ethyl carbamate
CID 83203983
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)ethyl carbamate?
The IUPAC name of 2-(3-aminopropylamino)ethyl carbamate (CID 83209629) is 2-(3-aminopropylamino)ethyl carbamate.
What is the SMILES notation for 2-(3-aminopropylamino)ethyl carbamate?
The canonical SMILES for 2-(3-aminopropylamino)ethyl carbamate is NCCCNCCOC(N)=O.
What is the InChIKey of 2-(3-aminopropylamino)ethyl carbamate?
The InChIKey is VCVARZDZRLLPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c7-2-1-3-9-4-5-11-6(8)10/h9H,1-5,7H2,(H2,8,10).
What are the key properties of 2-(3-aminopropylamino)ethyl carbamate?
2-(3-aminopropylamino)ethyl carbamate has a molecular weight of 161.20 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)ethyl carbamate is sourced from PubChem (CID 83209629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).