4-(propan-2-ylideneamino)butan-1-amine

C7H16N2 — CID 91612367

IUPAC4-(propan-2-ylideneamino)butan-1-amine
SMILESCC(C)=NCCCCN
InChIInChI=1S/C7H16N2/c1-7(2)9-6-4-3-5-8/h3-6,8H2,1-2H3
InChIKeyQFHKMRKPVLDDJP-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.21
Rot. Bonds4

About 4-(propan-2-ylideneamino)butan-1-amine

4-(propan-2-ylideneamino)butan-1-amine (PubChem CID 91612367) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 4-(propan-2-ylideneamino)butan-1-amine.

Molecular Properties

Compound Name4-(propan-2-ylideneamino)butan-1-amine
PubChem CID91612367
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name4-(propan-2-ylideneamino)butan-1-amine
SMILESCC(C)=NCCCCN
InChIInChI=1S/C7H16N2/c1-7(2)9-6-4-3-5-8/h3-6,8H2,1-2H3
InChIKeyQFHKMRKPVLDDJP-UHFFFAOYSA-N
XLogP1.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
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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Related Compounds

1,2-Ethanediamine, N-(1-methylethylidene)-
CID 10855392
3-Iminobutan-1-amine
CID 53693962
2-(Butan-2-ylideneamino)ethanamine
CID 55284048
3-(Propan-2-ylideneamino)propan-1-amine
CID 55285856
3-(2,2-Dimethylpropylimino)butan-1-amine
CID 57245961
3-(2-Methylpropylimino)butan-1-amine
CID 57276315
Ethyl(propan-2-ylidene)azanium
CID 58915956
2-Methyliminobutan-1-amine
CID 59938695
2-(Propan-2-ylideneamino)propan-1-amine
CID 85753747
2-(2-Methylpropylimino)propan-1-amine
CID 87785283
3-Propan-2-yliminobutan-2-amine
CID 90768823
1-(Propan-2-ylideneamino)butan-1-amine
CID 91281743

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylideneamino)butan-1-amine?
The IUPAC name of 4-(propan-2-ylideneamino)butan-1-amine (CID 91612367) is 4-(propan-2-ylideneamino)butan-1-amine.
What is the SMILES notation for 4-(propan-2-ylideneamino)butan-1-amine?
The canonical SMILES for 4-(propan-2-ylideneamino)butan-1-amine is CC(C)=NCCCCN.
What is the InChIKey of 4-(propan-2-ylideneamino)butan-1-amine?
The InChIKey is QFHKMRKPVLDDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)9-6-4-3-5-8/h3-6,8H2,1-2H3.
What are the key properties of 4-(propan-2-ylideneamino)butan-1-amine?
4-(propan-2-ylideneamino)butan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylideneamino)butan-1-amine is sourced from PubChem (CID 91612367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).