N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine

C20H41N — CID 167034728

IUPACN-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine
SMILESCCCCCCC(C)(CCCCCC)N(C)C1CCCC1
InChIInChI=1S/C20H41N/c1-5-7-9-13-17-20(3,18-14-10-8-6-2)21(4)19-15-11-12-16-19/h19H,5-18H2,1-4H3
InChIKeyTWIPFOPOWAEEGS-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.56
Rot. Bonds12

About N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine

N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine (PubChem CID 167034728) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine
PubChem CID167034728
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine
SMILESCCCCCCC(C)(CCCCCC)N(C)C1CCCC1
InChIInChI=1S/C20H41N/c1-5-7-9-13-17-20(3,18-14-10-8-6-2)21(4)19-15-11-12-16-19/h19H,5-18H2,1-4H3
InChIKeyTWIPFOPOWAEEGS-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-cycloheptyl-2-N,2-dimethylnonane-1,2-diamine
CID 43613910
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
2-N,2-dimethyl-2-N-(1-methylpiperidin-3-yl)heptane-1,2-diamine
CID 80557311
2-N-cyclopropyl-2-methyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63465034
2-(2-cyclohexyloctan-2-yloxy)octan-2-ylcyclohexane
CID 139747776
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
CID 107397828
1,1-dicyclohexyl-2,2-dihexylhydrazine
CID 57459761
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
N,N-dimethylcyclohexanamine;N-methyl-N-tridecyltridecan-1-amine
CID 159993444
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 78944020
2-N-cyclopropyl-2-N-(2-methoxyethyl)-2-methylnonane-1,2-diamine
CID 61452960

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine?
The IUPAC name of N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine (CID 167034728) is N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine.
What is the SMILES notation for N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine?
The canonical SMILES for N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine is CCCCCCC(C)(CCCCCC)N(C)C1CCCC1.
What is the InChIKey of N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine?
The InChIKey is TWIPFOPOWAEEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-5-7-9-13-17-20(3,18-14-10-8-6-2)21(4)19-15-11-12-16-19/h19H,5-18H2,1-4H3.
What are the key properties of N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine?
N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine has a molecular weight of 295.56 g/mol, XLogP of 6.56, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(7-methyltridecan-7-yl)cyclopentanamine is sourced from PubChem (CID 167034728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).