N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine

C11H21N — CID 154694996

IUPACN-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine
SMILESC/C=C(CCC(C)C)\N=C\CC
InChIInChI=1S/C11H21N/c1-5-9-12-11(6-2)8-7-10(3)4/h6,9-10H,5,7-8H2,1-4H3/b11-6-,12-9+
InChIKeyLONJHUFPBXYLFU-PPTLUXDQSA-N
MW167.30 g/mol
LogP3.81
Rot. Bonds5

About N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine

N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine (PubChem CID 154694996) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine
PubChem CID154694996
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine
SMILESC/C=C(CCC(C)C)\N=C\CC
InChIInChI=1S/C11H21N/c1-5-9-12-11(6-2)8-7-10(3)4/h6,9-10H,5,7-8H2,1-4H3/b11-6-,12-9+
InChIKeyLONJHUFPBXYLFU-PPTLUXDQSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,7-di(propan-2-yl)-3H-azepine
CID 11819584
2-Ethylidene-3,4,5,6-tetrahydro-2h-azepine
CID 129873673
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
5-(2-methylpropyl)-3H-pyrrole
CID 22094961
N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
4,6-Dimethyl-3,4-dihydropyridine
CID 53738464
4-Ethyl-6-methyl-3,4-dihydropyridine
CID 57076451
6-Butyl-3,4-dihydropyridine
CID 57232756
3-methyl-1-(3H-pyrrol-5-yl)butan-2-amine
CID 57629134
5-ethyl-3-ethyl-3H-pyrrole;tungsten
CID 57710493
3,5-diethyl-3H-pyrrole
CID 57710494
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine?
The IUPAC name of N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine (CID 154694996) is N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine.
What is the SMILES notation for N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine?
The canonical SMILES for N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine is C/C=C(CCC(C)C)\N=C\CC.
What is the InChIKey of N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine?
The InChIKey is LONJHUFPBXYLFU-PPTLUXDQSA-N. The full InChI is InChI=1S/C11H21N/c1-5-9-12-11(6-2)8-7-10(3)4/h6,9-10H,5,7-8H2,1-4H3/b11-6-,12-9+.
What are the key properties of N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine?
N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-6-methylhept-2-en-3-yl]propan-1-imine is sourced from PubChem (CID 154694996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).