3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine

C20H41N — CID 64908774

IUPAC3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCCCCCCCCCCCC1CCC(NCC)C1C
InChIInChI=1S/C20H41N/c1-4-6-7-8-9-10-11-12-13-14-15-19-16-17-20(18(19)3)21-5-2/h18-21H,4-17H2,1-3H3
InChIKeyDVFZVVCYMIONET-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.32
Rot. Bonds13

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

3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine (PubChem CID 64908774) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine
PubChem CID64908774
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine
SMILESCCCCCCCCCCCCC1CCC(NCC)C1C
InChIInChI=1S/C20H41N/c1-4-6-7-8-9-10-11-12-13-14-15-19-16-17-20(18(19)3)21-5-2/h18-21H,4-17H2,1-3H3
InChIKeyDVFZVVCYMIONET-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.32
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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Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine?
The IUPAC name of 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine (CID 64908774) is 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine is CCCCCCCCCCCCC1CCC(NCC)C1C.
What is the InChIKey of 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine?
The InChIKey is DVFZVVCYMIONET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-4-6-7-8-9-10-11-12-13-14-15-19-16-17-20(18(19)3)21-5-2/h18-21H,4-17H2,1-3H3.
What are the key properties of 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine?
3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.32, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-N-ethyl-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64908774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).