N-(2-iminopropyl)butan-1-amine

C7H16N2 — CID 142083299

IUPACN-(2-iminopropyl)butan-1-amine
SMILES[H]/N=C(\C)CNCCCC
InChIInChI=1S/C7H16N2/c1-3-4-5-9-6-7(2)8/h8-9H,3-6H2,1-2H3/b8-7+
InChIKeyISHNYDGNHAUFAG-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.42
Rot. Bonds5

About N-(2-iminopropyl)butan-1-amine

N-(2-iminopropyl)butan-1-amine (PubChem CID 142083299) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-(2-iminopropyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-iminopropyl)butan-1-amine
PubChem CID142083299
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-(2-iminopropyl)butan-1-amine
SMILES[H]/N=C(\C)CNCCCC
InChIInChI=1S/C7H16N2/c1-3-4-5-9-6-7(2)8/h8-9H,3-6H2,1-2H3/b8-7+
InChIKeyISHNYDGNHAUFAG-BQYQJAHWSA-N
XLogP1.42
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)butan-1-amine?
The IUPAC name of N-(2-iminopropyl)butan-1-amine (CID 142083299) is N-(2-iminopropyl)butan-1-amine.
What is the SMILES notation for N-(2-iminopropyl)butan-1-amine?
The canonical SMILES for N-(2-iminopropyl)butan-1-amine is [H]/N=C(\C)CNCCCC.
What is the InChIKey of N-(2-iminopropyl)butan-1-amine?
The InChIKey is ISHNYDGNHAUFAG-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-4-5-9-6-7(2)8/h8-9H,3-6H2,1-2H3/b8-7+.
What are the key properties of N-(2-iminopropyl)butan-1-amine?
N-(2-iminopropyl)butan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminopropyl)butan-1-amine is sourced from PubChem (CID 142083299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).