N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine

C18H38N2 — CID 150537689

IUPACN-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine
SMILESCCCCCCCCCCNC1(CN(C)C)CCCC1
InChIInChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-13-16-19-18(17-20(2)3)14-11-12-15-18/h19H,4-17H2,1-3H3
InChIKeyIFESJTWPNITHRP-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.59
Rot. Bonds12

About N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine

N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine (PubChem CID 150537689) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine
PubChem CID150537689
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine
SMILESCCCCCCCCCCNC1(CN(C)C)CCCC1
InChIInChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-13-16-19-18(17-20(2)3)14-11-12-15-18/h19H,4-17H2,1-3H3
InChIKeyIFESJTWPNITHRP-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine?
The IUPAC name of N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine (CID 150537689) is N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine is CCCCCCCCCCNC1(CN(C)C)CCCC1.
What is the InChIKey of N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine?
The InChIKey is IFESJTWPNITHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-13-16-19-18(17-20(2)3)14-11-12-15-18/h19H,4-17H2,1-3H3.
What are the key properties of N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine?
N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.59, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-1-[(dimethylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 150537689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).