N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine

C17H25N — CID 43225625

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C17H25N/c1-14(2)17(16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-5,7-8,11-12,14-15,17-18H,6,9-10,13H2,1-2H3
InChIKeyRXMIMEJBZCXOBZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.33
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine (PubChem CID 43225625) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
PubChem CID43225625
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCC1CC=CCC1)c1ccccc1
InChIInChI=1S/C17H25N/c1-14(2)17(16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-5,7-8,11-12,14-15,17-18H,6,9-10,13H2,1-2H3
InChIKeyRXMIMEJBZCXOBZ-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-[(4-ethylcyclohexyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 63451644
N-(cyclohex-3-en-1-ylmethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740417
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
3-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclobutan-1-ol
CID 66004568
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165
4-[[(2-methyl-1-phenylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529940
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine (CID 43225625) is N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCC1CC=CCC1)c1ccccc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine?
The InChIKey is RXMIMEJBZCXOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-14(2)17(16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-5,7-8,11-12,14-15,17-18H,6,9-10,13H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43225625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).