4-(3-aminopropyl)heptane-1,7-diamine

C10H25N3 — CID 14818320

IUPAC4-(3-aminopropyl)heptane-1,7-diamine
SMILESNCCCC(CCCN)CCCN
InChIInChI=1S/C10H25N3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h10H,1-9,11-13H2
InChIKeyORXJAHKNMXPUIS-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.82
Rot. Bonds9

About 4-(3-aminopropyl)heptane-1,7-diamine

4-(3-aminopropyl)heptane-1,7-diamine (PubChem CID 14818320) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-(3-aminopropyl)heptane-1,7-diamine.

Molecular Properties

Compound Name4-(3-aminopropyl)heptane-1,7-diamine
PubChem CID14818320
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name4-(3-aminopropyl)heptane-1,7-diamine
SMILESNCCCC(CCCN)CCCN
InChIInChI=1S/C10H25N3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h10H,1-9,11-13H2
InChIKeyORXJAHKNMXPUIS-UHFFFAOYSA-N
XLogP0.82
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)heptane-1,7-diamine?
The IUPAC name of 4-(3-aminopropyl)heptane-1,7-diamine (CID 14818320) is 4-(3-aminopropyl)heptane-1,7-diamine.
What is the SMILES notation for 4-(3-aminopropyl)heptane-1,7-diamine?
The canonical SMILES for 4-(3-aminopropyl)heptane-1,7-diamine is NCCCC(CCCN)CCCN.
What is the InChIKey of 4-(3-aminopropyl)heptane-1,7-diamine?
The InChIKey is ORXJAHKNMXPUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h10H,1-9,11-13H2.
What are the key properties of 4-(3-aminopropyl)heptane-1,7-diamine?
4-(3-aminopropyl)heptane-1,7-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)heptane-1,7-diamine is sourced from PubChem (CID 14818320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).