3-dodecyl-2-methylcyclopentan-1-amine

C18H37N — CID 64908094

IUPAC3-dodecyl-2-methylcyclopentan-1-amine
SMILESCCCCCCCCCCCCC1CCC(N)C1C
InChIInChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(19)16(17)2/h16-18H,3-15,19H2,1-2H3
InChIKeyBYSUFFWWJMRKKA-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.67
Rot. Bonds11

About 3-dodecyl-2-methylcyclopentan-1-amine

3-dodecyl-2-methylcyclopentan-1-amine (PubChem CID 64908094) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3-dodecyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-dodecyl-2-methylcyclopentan-1-amine
PubChem CID64908094
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3-dodecyl-2-methylcyclopentan-1-amine
SMILESCCCCCCCCCCCCC1CCC(N)C1C
InChIInChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(19)16(17)2/h16-18H,3-15,19H2,1-2H3
InChIKeyBYSUFFWWJMRKKA-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3-dimethyl-4-pentylcyclohexane;octane;pentane
CID 160972744
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64908774
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2,4-dimethylcyclohexan-1-amine;dodecane
CID 174680887
2-heptylcyclohexan-1-amine
CID 23132318
2-dodecylcyclohexan-1-amine
CID 63400047
7-(2-amino-5-hexylcyclopentyl)heptan-1-ol
CID 23220320
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-dodecyl-2-methylcyclopentan-1-amine (CID 64908094) is 3-dodecyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-dodecyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-dodecyl-2-methylcyclopentan-1-amine is CCCCCCCCCCCCC1CCC(N)C1C.
What is the InChIKey of 3-dodecyl-2-methylcyclopentan-1-amine?
The InChIKey is BYSUFFWWJMRKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15-18(19)16(17)2/h16-18H,3-15,19H2,1-2H3.
What are the key properties of 3-dodecyl-2-methylcyclopentan-1-amine?
3-dodecyl-2-methylcyclopentan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64908094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).