1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C17H28N2 — CID 79070605

IUPAC1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(c1cc(C)ccc1C)C1(N(C)C)CCCC1
InChIInChI=1S/C17H28N2/c1-13-8-9-14(2)15(12-13)16(18-3)17(19(4)5)10-6-7-11-17/h8-9,12,16,18H,6-7,10-11H2,1-5H3
InChIKeyQJZVHMVJNRTOJA-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 79070605) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID79070605
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(c1cc(C)ccc1C)C1(N(C)C)CCCC1
InChIInChI=1S/C17H28N2/c1-13-8-9-14(2)15(12-13)16(18-3)17(19(4)5)10-6-7-11-17/h8-9,12,16,18H,6-7,10-11H2,1-5H3
InChIKeyQJZVHMVJNRTOJA-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070606
1-[(5-fluoro-2-methylphenyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79063504
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79081682
1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958928
1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061551
[1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958233
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
N,N-dimethyl-1-[methylamino-(5-methyl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 113297267
N,N-dimethyl-1-[methylamino-(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 79066072
1-[(2,5-dichlorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066890
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 79070605) is 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CNC(c1cc(C)ccc1C)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is QJZVHMVJNRTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-9-14(2)15(12-13)16(18-3)17(19(4)5)10-6-7-11-17/h8-9,12,16,18H,6-7,10-11H2,1-5H3.
What are the key properties of 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79070605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).