3-(2,2-dimethylpropylimino)butan-1-amine

C9H20N2 — CID 57245961

IUPAC3-(2,2-dimethylpropylimino)butan-1-amine
SMILESC/C(CCN)=N\CC(C)(C)C
InChIInChI=1S/C9H20N2/c1-8(5-6-10)11-7-9(2,3)4/h5-7,10H2,1-4H3/b11-8+
InChIKeyQJEGHBVZQXZZMN-DHZHZOJOSA-N
MW156.27 g/mol
LogP1.84
Rot. Bonds3

About 3-(2,2-dimethylpropylimino)butan-1-amine

3-(2,2-dimethylpropylimino)butan-1-amine (PubChem CID 57245961) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylimino)butan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropylimino)butan-1-amine
PubChem CID57245961
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-(2,2-dimethylpropylimino)butan-1-amine
SMILESC/C(CCN)=N\CC(C)(C)C
InChIInChI=1S/C9H20N2/c1-8(5-6-10)11-7-9(2,3)4/h5-7,10H2,1-4H3/b11-8+
InChIKeyQJEGHBVZQXZZMN-DHZHZOJOSA-N
XLogP1.84
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylimino)butan-1-amine?
The IUPAC name of 3-(2,2-dimethylpropylimino)butan-1-amine (CID 57245961) is 3-(2,2-dimethylpropylimino)butan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpropylimino)butan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpropylimino)butan-1-amine is C/C(CCN)=N\CC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropylimino)butan-1-amine?
The InChIKey is QJEGHBVZQXZZMN-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(5-6-10)11-7-9(2,3)4/h5-7,10H2,1-4H3/b11-8+.
What are the key properties of 3-(2,2-dimethylpropylimino)butan-1-amine?
3-(2,2-dimethylpropylimino)butan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylimino)butan-1-amine is sourced from PubChem (CID 57245961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).