N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine

C18H27N — CID 143553842

IUPACN,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine
SMILESC=C(c1ccc(CC2CCC(C)CC2)cc1)N(C)C
InChIInChI=1S/C18H27N/c1-14-5-7-16(8-6-14)13-17-9-11-18(12-10-17)15(2)19(3)4/h9-12,14,16H,2,5-8,13H2,1,3-4H3
InChIKeyQVFWODOHALOGHI-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.59
Rot. Bonds4

About N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine

N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine (PubChem CID 143553842) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine
PubChem CID143553842
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine
SMILESC=C(c1ccc(CC2CCC(C)CC2)cc1)N(C)C
InChIInChI=1S/C18H27N/c1-14-5-7-16(8-6-14)13-17-9-11-18(12-10-17)15(2)19(3)4/h9-12,14,16H,2,5-8,13H2,1,3-4H3
InChIKeyQVFWODOHALOGHI-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine?
The IUPAC name of N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine (CID 143553842) is N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine.
What is the SMILES notation for N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine?
The canonical SMILES for N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine is C=C(c1ccc(CC2CCC(C)CC2)cc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine?
The InChIKey is QVFWODOHALOGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14-5-7-16(8-6-14)13-17-9-11-18(12-10-17)15(2)19(3)4/h9-12,14,16H,2,5-8,13H2,1,3-4H3.
What are the key properties of N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine?
N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine has a molecular weight of 257.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-[(4-methylcyclohexyl)methyl]phenyl]ethenamine is sourced from PubChem (CID 143553842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).