4-(3-aminopropylamino)butan-1-ol

C7H18N2O — CID 10725491

IUPAC4-(3-aminopropylamino)butan-1-ol
SMILESNCCCNCCCCO
InChIInChI=1S/C7H18N2O/c8-4-3-6-9-5-1-2-7-10/h9-10H,1-8H2
InChIKeyIKTRZPLPNXCPQI-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.30
Rot. Bonds7

About 4-(3-aminopropylamino)butan-1-ol

4-(3-aminopropylamino)butan-1-ol (PubChem CID 10725491) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-(3-aminopropylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-aminopropylamino)butan-1-ol
PubChem CID10725491
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name4-(3-aminopropylamino)butan-1-ol
SMILESNCCCNCCCCO
InChIInChI=1S/C7H18N2O/c8-4-3-6-9-5-1-2-7-10/h9-10H,1-8H2
InChIKeyIKTRZPLPNXCPQI-UHFFFAOYSA-N
XLogP-0.30
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropylamino)propan-1-ol;dihydrochloride
CID 171689446
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
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
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
pentacosan-1-amine;3-(pentacosylamino)propan-1-ol
CID 155339382
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(3-aminopropyl)butane-1,4-diamine;sulfuric acid
CID 157082496

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)butan-1-ol?
The IUPAC name of 4-(3-aminopropylamino)butan-1-ol (CID 10725491) is 4-(3-aminopropylamino)butan-1-ol.
What is the SMILES notation for 4-(3-aminopropylamino)butan-1-ol?
The canonical SMILES for 4-(3-aminopropylamino)butan-1-ol is NCCCNCCCCO.
What is the InChIKey of 4-(3-aminopropylamino)butan-1-ol?
The InChIKey is IKTRZPLPNXCPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c8-4-3-6-9-5-1-2-7-10/h9-10H,1-8H2.
What are the key properties of 4-(3-aminopropylamino)butan-1-ol?
4-(3-aminopropylamino)butan-1-ol has a molecular weight of 146.23 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)butan-1-ol is sourced from PubChem (CID 10725491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).