3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine

C15H29N — CID 138564621

IUPAC3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine
SMILESC=C1C(CCC)CCC1(CC)CCCNC
InChIInChI=1S/C15H29N/c1-5-8-14-9-11-15(6-2,13(14)3)10-7-12-16-4/h14,16H,3,5-12H2,1-2,4H3
InChIKeyKSRSYOKBPFWMID-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds7

About 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine

3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine (PubChem CID 138564621) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine
PubChem CID138564621
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine
SMILESC=C1C(CCC)CCC1(CC)CCCNC
InChIInChI=1S/C15H29N/c1-5-8-14-9-11-15(6-2,13(14)3)10-7-12-16-4/h14,16H,3,5-12H2,1-2,4H3
InChIKeyKSRSYOKBPFWMID-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine (CID 138564621) is 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine is C=C1C(CCC)CCC1(CC)CCCNC.
What is the InChIKey of 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine?
The InChIKey is KSRSYOKBPFWMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-5-8-14-9-11-15(6-2,13(14)3)10-7-12-16-4/h14,16H,3,5-12H2,1-2,4H3.
What are the key properties of 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine?
3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-2-methylidene-3-propylcyclopentyl)-N-methylpropan-1-amine is sourced from PubChem (CID 138564621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).