N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine

C12H21N — CID 168972612

IUPACN-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine
SMILESC=C(/C=C\N=C(/C)CCC)C(C)C
InChIInChI=1S/C12H21N/c1-6-7-12(5)13-9-8-11(4)10(2)3/h8-10H,4,6-7H2,1-3,5H3/b9-8-,13-12+
InChIKeyHRYJMPDBWIRERI-YILALFFRSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds5

About N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine

N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine (PubChem CID 168972612) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine.

Molecular Properties

Compound NameN-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine
PubChem CID168972612
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine
SMILESC=C(/C=C\N=C(/C)CCC)C(C)C
InChIInChI=1S/C12H21N/c1-6-7-12(5)13-9-8-11(4)10(2)3/h8-10H,4,6-7H2,1-3,5H3/b9-8-,13-12+
InChIKeyHRYJMPDBWIRERI-YILALFFRSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
1,1,1-trifluoro-3-methyl-N-[(Z)-3-methylidenepent-1-enyl]pentan-2-imine
CID 174202549
2,5-di(propan-2-yl)-3H-azepine
CID 10241356
N-[(Z)-5,5,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
CID 168972591
3-methyl-N-[(Z)-4,4,5-trifluoro-3-methylidenepent-1-enyl]pentan-2-imine
CID 170710133
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
2,3-dimethyl-3H-pyrrole
CID 17769177
2-propan-2-yl-3H-pyrrole
CID 23563334
3-methyl-2-propan-2-yl-3H-pyrrole
CID 58564369
2-(2-methylpropyl)-3H-pyrrole
CID 59447839
1,2-di(propan-2-yl)-3H-pyrrol-1-ium
CID 60102694

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine?
The IUPAC name of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine (CID 168972612) is N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine.
What is the SMILES notation for N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine?
The canonical SMILES for N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine is C=C(/C=C\N=C(/C)CCC)C(C)C.
What is the InChIKey of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine?
The InChIKey is HRYJMPDBWIRERI-YILALFFRSA-N. The full InChI is InChI=1S/C12H21N/c1-6-7-12(5)13-9-8-11(4)10(2)3/h8-10H,4,6-7H2,1-3,5H3/b9-8-,13-12+.
What are the key properties of N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine?
N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine is sourced from PubChem (CID 168972612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).