3-imino-N-methyl-2-propylpent-4-en-1-amine

C9H18N2 — CID 123469226

IUPAC3-imino-N-methyl-2-propylpent-4-en-1-amine
SMILES[H]/N=C(\C=C)C(CCC)CNC
InChIInChI=1S/C9H18N2/c1-4-6-8(7-11-3)9(10)5-2/h5,8,10-11H,2,4,6-7H2,1,3H3/b10-9+
InChIKeyHPOIXRFBSQUHPB-MDZDMXLPSA-N
MW154.26 g/mol
LogP1.83
Rot. Bonds6

About 3-imino-N-methyl-2-propylpent-4-en-1-amine

3-imino-N-methyl-2-propylpent-4-en-1-amine (PubChem CID 123469226) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-imino-N-methyl-2-propylpent-4-en-1-amine.

Molecular Properties

Compound Name3-imino-N-methyl-2-propylpent-4-en-1-amine
PubChem CID123469226
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-imino-N-methyl-2-propylpent-4-en-1-amine
SMILES[H]/N=C(\C=C)C(CCC)CNC
InChIInChI=1S/C9H18N2/c1-4-6-8(7-11-3)9(10)5-2/h5,8,10-11H,2,4,6-7H2,1,3H3/b10-9+
InChIKeyHPOIXRFBSQUHPB-MDZDMXLPSA-N
XLogP1.83
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.83
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

2-methanimidoyl-N-methylpentan-1-amine
CID 90738575
5-methyloct-1-en-3-imine
CID 163230463
N-hexan-3-yl-2-(methylaminomethyl)-N-prop-2-enylprop-2-enimidamide
CID 144987889
2-but-1-en-2-yl-N-methylheptan-1-amine
CID 155207004
1-(prop-2-enylamino)butan-1-ol;hydrochloride
CID 174837372
1-cyclohexylidene-3-methylhexan-2-imine
CID 123876303
N,4-dimethyl-2-(2-methylpropyl)heptan-1-amine
CID 62528910
2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043424
3-iminonona-1,7,8-trien-4-amine
CID 90802406
4-hydroxy-2-(methylaminomethyl)butanoic acid
CID 117236956
butane-1,1-diol;mercury(1+);prop-2-enoate
CID 174882415

Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methyl-2-propylpent-4-en-1-amine?
The IUPAC name of 3-imino-N-methyl-2-propylpent-4-en-1-amine (CID 123469226) is 3-imino-N-methyl-2-propylpent-4-en-1-amine.
What is the SMILES notation for 3-imino-N-methyl-2-propylpent-4-en-1-amine?
The canonical SMILES for 3-imino-N-methyl-2-propylpent-4-en-1-amine is [H]/N=C(\C=C)C(CCC)CNC.
What is the InChIKey of 3-imino-N-methyl-2-propylpent-4-en-1-amine?
The InChIKey is HPOIXRFBSQUHPB-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-6-8(7-11-3)9(10)5-2/h5,8,10-11H,2,4,6-7H2,1,3H3/b10-9+.
What are the key properties of 3-imino-N-methyl-2-propylpent-4-en-1-amine?
3-imino-N-methyl-2-propylpent-4-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methyl-2-propylpent-4-en-1-amine is sourced from PubChem (CID 123469226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).