N'-(2-iminopropyl)butane-1,4-diamine

C7H17N3 — CID 155373226

IUPACN'-(2-iminopropyl)butane-1,4-diamine
SMILES[H]/N=C(\C)CNCCCCN
InChIInChI=1S/C7H17N3/c1-7(9)6-10-5-3-2-4-8/h9-10H,2-6,8H2,1H3/b9-7+
InChIKeyIWXURMYGZZYEDT-VQHVLOKHSA-N
MW143.23 g/mol
LogP0.35
Rot. Bonds6

About N'-(2-iminopropyl)butane-1,4-diamine

N'-(2-iminopropyl)butane-1,4-diamine (PubChem CID 155373226) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N'-(2-iminopropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-iminopropyl)butane-1,4-diamine
PubChem CID155373226
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN'-(2-iminopropyl)butane-1,4-diamine
SMILES[H]/N=C(\C)CNCCCCN
InChIInChI=1S/C7H17N3/c1-7(9)6-10-5-3-2-4-8/h9-10H,2-6,8H2,1H3/b9-7+
InChIKeyIWXURMYGZZYEDT-VQHVLOKHSA-N
XLogP0.35
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-iminopropyl)butane-1,4-diamine?
The IUPAC name of N'-(2-iminopropyl)butane-1,4-diamine (CID 155373226) is N'-(2-iminopropyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-iminopropyl)butane-1,4-diamine?
The canonical SMILES for N'-(2-iminopropyl)butane-1,4-diamine is [H]/N=C(\C)CNCCCCN.
What is the InChIKey of N'-(2-iminopropyl)butane-1,4-diamine?
The InChIKey is IWXURMYGZZYEDT-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H17N3/c1-7(9)6-10-5-3-2-4-8/h9-10H,2-6,8H2,1H3/b9-7+.
What are the key properties of N'-(2-iminopropyl)butane-1,4-diamine?
N'-(2-iminopropyl)butane-1,4-diamine has a molecular weight of 143.23 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-iminopropyl)butane-1,4-diamine is sourced from PubChem (CID 155373226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).