N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine

C11H19N — CID 138464182

IUPACN-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine
SMILESC/N=C/CCC1C=C[C@H](C)CC1
InChIInChI=1S/C11H19N/c1-10-5-7-11(8-6-10)4-3-9-12-2/h5,7,9-11H,3-4,6,8H2,1-2H3/b12-9+/t10-,11?/m0/s1
InChIKeyRCVZRVKAOMWHGR-PBRGZDJASA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds3

About N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine

N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine (PubChem CID 138464182) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine.

Molecular Properties

Compound NameN-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine
PubChem CID138464182
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine
SMILESC/N=C/CCC1C=C[C@H](C)CC1
InChIInChI=1S/C11H19N/c1-10-5-7-11(8-6-10)4-3-9-12-2/h5,7,9-11H,3-4,6,8H2,1-2H3/b12-9+/t10-,11?/m0/s1
InChIKeyRCVZRVKAOMWHGR-PBRGZDJASA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine?
The IUPAC name of N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine (CID 138464182) is N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine.
What is the SMILES notation for N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine?
The canonical SMILES for N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine is C/N=C/CCC1C=C[C@H](C)CC1.
What is the InChIKey of N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine?
The InChIKey is RCVZRVKAOMWHGR-PBRGZDJASA-N. The full InChI is InChI=1S/C11H19N/c1-10-5-7-11(8-6-10)4-3-9-12-2/h5,7,9-11H,3-4,6,8H2,1-2H3/b12-9+/t10-,11?/m0/s1.
What are the key properties of N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine?
N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4R)-4-methylcyclohex-2-en-1-yl]propan-1-imine is sourced from PubChem (CID 138464182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).