N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine

C24H39N — CID 170248520

IUPACN-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine
SMILESCC[C@@H](C)Cc1ccc(C2CCC(C3CCC(NC)CC3)CC2)cc1
InChIInChI=1S/C24H39N/c1-4-18(2)17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-15-24(25-3)16-14-23/h5-8,18,21-25H,4,9-17H2,1-3H3/t18-,21?,22?,23?,24?/m1/s1
InChIKeyYYIBWKFUQAULPF-ZTZVXNSDSA-N
MW341.58 g/mol
LogP6.33
Rot. Bonds6

About N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine

N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine (PubChem CID 170248520) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine
PubChem CID170248520
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC NameN-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine
SMILESCC[C@@H](C)Cc1ccc(C2CCC(C3CCC(NC)CC3)CC2)cc1
InChIInChI=1S/C24H39N/c1-4-18(2)17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-15-24(25-3)16-14-23/h5-8,18,21-25H,4,9-17H2,1-3H3/t18-,21?,22?,23?,24?/m1/s1
InChIKeyYYIBWKFUQAULPF-ZTZVXNSDSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine (CID 170248520) is N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine is CC[C@@H](C)Cc1ccc(C2CCC(C3CCC(NC)CC3)CC2)cc1.
What is the InChIKey of N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine?
The InChIKey is YYIBWKFUQAULPF-ZTZVXNSDSA-N. The full InChI is InChI=1S/C24H39N/c1-4-18(2)17-19-5-7-20(8-6-19)21-9-11-22(12-10-21)23-13-15-24(25-3)16-14-23/h5-8,18,21-25H,4,9-17H2,1-3H3/t18-,21?,22?,23?,24?/m1/s1.
What are the key properties of N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine?
N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine has a molecular weight of 341.58 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[4-[(2R)-2-methylbutyl]phenyl]cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 170248520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).