N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine

C19H32N2 — CID 116544690

IUPACN,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
SMILESCNC(c1cccc(CC(C)C)c1)C1(N(C)C)CCCC1
InChIInChI=1S/C19H32N2/c1-15(2)13-16-9-8-10-17(14-16)18(20-3)19(21(4)5)11-6-7-12-19/h8-10,14-15,18,20H,6-7,11-13H2,1-5H3
InChIKeyPSILAKRRQWXJNS-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds6

About N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine (PubChem CID 116544690) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
PubChem CID116544690
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
SMILESCNC(c1cccc(CC(C)C)c1)C1(N(C)C)CCCC1
InChIInChI=1S/C19H32N2/c1-15(2)13-16-9-8-10-17(14-16)18(20-3)19(21(4)5)11-6-7-12-19/h8-10,14-15,18,20H,6-7,11-13H2,1-5H3
InChIKeyPSILAKRRQWXJNS-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050783
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 107191342
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984
1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544532
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
N-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544912

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine (CID 116544690) is N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine is CNC(c1cccc(CC(C)C)c1)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is PSILAKRRQWXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)13-16-9-8-10-17(14-16)18(20-3)19(21(4)5)11-6-7-12-19/h8-10,14-15,18,20H,6-7,11-13H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 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-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 116544690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).