3-imino-2-(2-methylpropyl)pentan-1-amine

C9H20N2 — CID 123408021

IUPAC3-imino-2-(2-methylpropyl)pentan-1-amine
SMILES[H]/N=C(\CC)C(CN)CC(C)C
InChIInChI=1S/C9H20N2/c1-4-9(11)8(6-10)5-7(2)3/h7-8,11H,4-6,10H2,1-3H3/b11-9+
InChIKeyOXIHTINCNOHVPX-PKNBQFBNSA-N
MW156.27 g/mol
LogP2.04
Rot. Bonds5

About 3-imino-2-(2-methylpropyl)pentan-1-amine

3-imino-2-(2-methylpropyl)pentan-1-amine (PubChem CID 123408021) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-imino-2-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name3-imino-2-(2-methylpropyl)pentan-1-amine
PubChem CID123408021
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-imino-2-(2-methylpropyl)pentan-1-amine
SMILES[H]/N=C(\CC)C(CN)CC(C)C
InChIInChI=1S/C9H20N2/c1-4-9(11)8(6-10)5-7(2)3/h7-8,11H,4-6,10H2,1-3H3/b11-9+
InChIKeyOXIHTINCNOHVPX-PKNBQFBNSA-N
XLogP2.04
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethylhexan-3-imine
CID 123589551
ethyl (2S)-2-(aminomethyl)-4-methylpentanoate
CID 94397761
ethyl 2-(aminomethyl)-4-methylpentanoate
CID 16641205
4-methylheptan-3-imine
CID 149092868
2-ethoxypentan-3-imine
CID 123646802
4-(aminomethyl)-2,7-dimethylnonan-5-one
CID 116597857
4-(aminomethyl)-2,6-dimethylhept-1-en-3-one
CID 116597908
(2R)-2-(aminomethyl)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one
CID 76844706
2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 112738158
5-(aminomethyl)-7-methyloct-1-yn-4-one
CID 116597798
2-fluoro-4-methylpentanimidamide
CID 115011258
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468

Frequently Asked Questions

What is the IUPAC name of 3-imino-2-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 3-imino-2-(2-methylpropyl)pentan-1-amine (CID 123408021) is 3-imino-2-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 3-imino-2-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 3-imino-2-(2-methylpropyl)pentan-1-amine is [H]/N=C(\CC)C(CN)CC(C)C.
What is the InChIKey of 3-imino-2-(2-methylpropyl)pentan-1-amine?
The InChIKey is OXIHTINCNOHVPX-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-9(11)8(6-10)5-7(2)3/h7-8,11H,4-6,10H2,1-3H3/b11-9+.
What are the key properties of 3-imino-2-(2-methylpropyl)pentan-1-amine?
3-imino-2-(2-methylpropyl)pentan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 123408021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).