4-(3-aminopropylamino)butyl carbamate

C8H19N3O2 — CID 175431367

IUPAC4-(3-aminopropylamino)butyl carbamate
SMILESNCCCNCCCCOC(N)=O
InChIInChI=1S/C8H19N3O2/c9-4-3-6-11-5-1-2-7-13-8(10)12/h11H,1-7,9H2,(H2,10,12)
InChIKeyOMIDORNGXLRIDW-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.20
Rot. Bonds8

About 4-(3-aminopropylamino)butyl carbamate

4-(3-aminopropylamino)butyl carbamate (PubChem CID 175431367) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 4-(3-aminopropylamino)butyl carbamate.

Molecular Properties

Compound Name4-(3-aminopropylamino)butyl carbamate
PubChem CID175431367
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name4-(3-aminopropylamino)butyl carbamate
SMILESNCCCNCCCCOC(N)=O
InChIInChI=1S/C8H19N3O2/c9-4-3-6-11-5-1-2-7-13-8(10)12/h11H,1-7,9H2,(H2,10,12)
InChIKeyOMIDORNGXLRIDW-UHFFFAOYSA-N
XLogP-0.20
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.20
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

2-(3-aminopropylamino)ethyl carbamate
CID 83209629
5-(propylamino)pentyl carbamate
CID 175255674
9-aminononyl carbamate
CID 87884060
9-carbamoyloxynonyl carbamate
CID 87883969
6-(methylamino)hexyl carbamate
CID 87971440
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
[6-(3-aminopropylamino)-2-methylhexan-2-yl] carbamate
CID 175180105
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
acetic acid;N'-(3-aminopropyl)butane-1,4-diamine
CID 173249566
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)butyl carbamate?
The IUPAC name of 4-(3-aminopropylamino)butyl carbamate (CID 175431367) is 4-(3-aminopropylamino)butyl carbamate.
What is the SMILES notation for 4-(3-aminopropylamino)butyl carbamate?
The canonical SMILES for 4-(3-aminopropylamino)butyl carbamate is NCCCNCCCCOC(N)=O.
What is the InChIKey of 4-(3-aminopropylamino)butyl carbamate?
The InChIKey is OMIDORNGXLRIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c9-4-3-6-11-5-1-2-7-13-8(10)12/h11H,1-7,9H2,(H2,10,12).
What are the key properties of 4-(3-aminopropylamino)butyl carbamate?
4-(3-aminopropylamino)butyl carbamate has a molecular weight of 189.26 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)butyl carbamate is sourced from PubChem (CID 175431367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).