4-propyl-1,4-diazepan-1-amine

C8H19N3 — CID 123939784

IUPAC4-propyl-1,4-diazepan-1-amine
SMILESCCCN1CCCN(N)CC1
InChIInChI=1S/C8H19N3/c1-2-4-10-5-3-6-11(9)8-7-10/h2-9H2,1H3
InChIKeyHJVKFTNYTUTSFL-UHFFFAOYSA-N
MW157.26 g/mol
LogP0.28
Rot. Bonds2

About 4-propyl-1,4-diazepan-1-amine

4-propyl-1,4-diazepan-1-amine (PubChem CID 123939784) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-propyl-1,4-diazepan-1-amine.

Molecular Properties

Compound Name4-propyl-1,4-diazepan-1-amine
PubChem CID123939784
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name4-propyl-1,4-diazepan-1-amine
SMILESCCCN1CCCN(N)CC1
InChIInChI=1S/C8H19N3/c1-2-4-10-5-3-6-11(9)8-7-10/h2-9H2,1H3
InChIKeyHJVKFTNYTUTSFL-UHFFFAOYSA-N
XLogP0.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,4-diazepan-1-amine?
The IUPAC name of 4-propyl-1,4-diazepan-1-amine (CID 123939784) is 4-propyl-1,4-diazepan-1-amine.
What is the SMILES notation for 4-propyl-1,4-diazepan-1-amine?
The canonical SMILES for 4-propyl-1,4-diazepan-1-amine is CCCN1CCCN(N)CC1.
What is the InChIKey of 4-propyl-1,4-diazepan-1-amine?
The InChIKey is HJVKFTNYTUTSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-2-4-10-5-3-6-11(9)8-7-10/h2-9H2,1H3.
What are the key properties of 4-propyl-1,4-diazepan-1-amine?
4-propyl-1,4-diazepan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,4-diazepan-1-amine is sourced from PubChem (CID 123939784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).