3-(3-aminopropoxy)butan-1-amine

C7H18N2O — CID 165053672

IUPAC3-(3-aminopropoxy)butan-1-amine
SMILESCC(CCN)OCCCN
InChIInChI=1S/C7H18N2O/c1-7(3-5-9)10-6-2-4-8/h7H,2-6,8-9H2,1H3
InChIKeyQBIHEIFHNPDCLW-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.09
Rot. Bonds6

About 3-(3-aminopropoxy)butan-1-amine

3-(3-aminopropoxy)butan-1-amine (PubChem CID 165053672) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 3-(3-aminopropoxy)butan-1-amine.

Molecular Properties

Compound Name3-(3-aminopropoxy)butan-1-amine
PubChem CID165053672
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name3-(3-aminopropoxy)butan-1-amine
SMILESCC(CCN)OCCCN
InChIInChI=1S/C7H18N2O/c1-7(3-5-9)10-6-2-4-8/h7H,2-6,8-9H2,1H3
InChIKeyQBIHEIFHNPDCLW-UHFFFAOYSA-N
XLogP0.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-aminopropoxy)heptan-1-amine
CID 142972624
3-butan-2-yloxypropan-1-amine
CID 54795719
3-propan-2-yloxypropan-1-amine;hydrochloride
CID 18670799
3-[3-(2-methoxyethoxy)butoxy]propan-1-amine
CID 152877442
3-but-3-enoxybutan-1-amine
CID 114997092
4-[3-(2-methoxyethoxy)propoxy]pentan-1-amine
CID 103406337
1-(3-aminopropoxy)ethanol
CID 19915425
3-(2-butan-2-yloxyethoxy)propan-1-amine
CID 88947745
3-(1-pyrrolidin-1-ylpropan-2-yloxy)propan-1-amine
CID 118883331
1-(4-aminobutan-2-yloxy)-3-methylpentan-3-amine
CID 89078030
2-octan-2-yloxyethanamine
CID 43127313
4-(3-methoxy-3-methylbutoxy)pentan-1-amine
CID 106667811

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)butan-1-amine?
The IUPAC name of 3-(3-aminopropoxy)butan-1-amine (CID 165053672) is 3-(3-aminopropoxy)butan-1-amine.
What is the SMILES notation for 3-(3-aminopropoxy)butan-1-amine?
The canonical SMILES for 3-(3-aminopropoxy)butan-1-amine is CC(CCN)OCCCN.
What is the InChIKey of 3-(3-aminopropoxy)butan-1-amine?
The InChIKey is QBIHEIFHNPDCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(3-5-9)10-6-2-4-8/h7H,2-6,8-9H2,1H3.
What are the key properties of 3-(3-aminopropoxy)butan-1-amine?
3-(3-aminopropoxy)butan-1-amine has a molecular weight of 146.23 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)butan-1-amine is sourced from PubChem (CID 165053672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).