N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine

C18H30N2 — CID 79070156

IUPACN,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1(N(C)C)CCCC1
InChIInChI=1S/C18H30N2/c1-5-14-19-17(16-10-8-15(2)9-11-16)18(20(3)4)12-6-7-13-18/h8-11,17,19H,5-7,12-14H2,1-4H3
InChIKeyHPJADUWEQSMFKP-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine

N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine (PubChem CID 79070156) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
PubChem CID79070156
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine
SMILESCCCNC(c1ccc(C)cc1)C1(N(C)C)CCCC1
InChIInChI=1S/C18H30N2/c1-5-14-19-17(16-10-8-15(2)9-11-16)18(20(3)4)12-6-7-13-18/h8-11,17,19H,5-7,12-14H2,1-4H3
InChIKeyHPJADUWEQSMFKP-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N,N-dimethyl-1-[propylamino(thiophen-3-yl)methyl]cyclopentan-1-amine
CID 79069924
1-[ethylamino-(4-propylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79058158
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984
N,N-dimethyl-1-[(5-methylthiophen-2-yl)-(propylamino)methyl]cyclopentan-1-amine
CID 79069778
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069851
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
CID 79988935
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79061750

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine (CID 79070156) is N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine is CCCNC(c1ccc(C)cc1)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine?
The InChIKey is HPJADUWEQSMFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-14-19-17(16-10-8-15(2)9-11-16)18(20(3)4)12-6-7-13-18/h8-11,17,19H,5-7,12-14H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-methylphenyl)-(propylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79070156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).