3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine

C11H26N4 — CID 10512835

IUPAC3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine
SMILESNCCCN1CCCN(CCCN)CC1
InChIInChI=1S/C11H26N4/c12-4-1-6-14-8-3-9-15(11-10-14)7-2-5-13/h1-13H2
InChIKeyXYUCARGKJNKODR-UHFFFAOYSA-N
MW214.36 g/mol
LogP-0.31
Rot. Bonds6

About 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine

3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine (PubChem CID 10512835) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine
PubChem CID10512835
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine
SMILESNCCCN1CCCN(CCCN)CC1
InChIInChI=1S/C11H26N4/c12-4-1-6-14-8-3-9-15(11-10-14)7-2-5-13/h1-13H2
InChIKeyXYUCARGKJNKODR-UHFFFAOYSA-N
XLogP-0.31
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine (CID 10512835) is 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine is NCCCN1CCCN(CCCN)CC1.
What is the InChIKey of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine?
The InChIKey is XYUCARGKJNKODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c12-4-1-6-14-8-3-9-15(11-10-14)7-2-5-13/h1-13H2.
What are the key properties of 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine?
3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine has a molecular weight of 214.36 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropyl)-1,4-diazepan-1-yl]propan-1-amine is sourced from PubChem (CID 10512835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).