N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C19H30ClN — CID 115998685

IUPACN-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)(C)CC(C)(C)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-6-17(14-8-7-9-15(20)10-14)21-16-11-18(2,3)13-19(4,5)12-16/h7-10,16-17,21H,6,11-13H2,1-5H3
InChIKeyYODGQPKMYQENQG-UHFFFAOYSA-N
MW307.91 g/mol
LogP5.99
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 115998685) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID115998685
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC NameN-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCCC(NC1CC(C)(C)CC(C)(C)C1)c1cccc(Cl)c1
InChIInChI=1S/C19H30ClN/c1-6-17(14-8-7-9-15(20)10-14)21-16-11-18(2,3)13-19(4,5)12-16/h7-10,16-17,21H,6,11-13H2,1-5H3
InChIKeyYODGQPKMYQENQG-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.91
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
N-[1-(3-chlorophenyl)propyl]thian-3-amine
CID 62873445
N-[1-(3-chlorophenyl)-2-fluoroethyl]cyclopropanamine
CID 83821384
3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79352671
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
N-[1-(3-chlorophenyl)propyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863686
5,5-dimethyl-N-(1-phenylpropyl)thian-3-amine
CID 79958398

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 115998685) is N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CCC(NC1CC(C)(C)CC(C)(C)C1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is YODGQPKMYQENQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN/c1-6-17(14-8-7-9-15(20)10-14)21-16-11-18(2,3)13-19(4,5)12-16/h7-10,16-17,21H,6,11-13H2,1-5H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 307.91 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 115998685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).