N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine

C16H30N2 — CID 79180291

IUPACN-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H30N2/c1-4-17-15(14(2)3)16(10-6-7-11-16)18-12-8-5-9-13-18/h15,17H,2,4-13H2,1,3H3
InChIKeyLMHMZEPKMNBCED-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.34
Rot. Bonds5

About N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine

N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine (PubChem CID 79180291) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine
PubChem CID79180291
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine
SMILESC=C(C)C(NCC)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H30N2/c1-4-17-15(14(2)3)16(10-6-7-11-16)18-12-8-5-9-13-18/h15,17H,2,4-13H2,1,3H3
InChIKeyLMHMZEPKMNBCED-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine (CID 79180291) is N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine is C=C(C)C(NCC)C1(N2CCCCC2)CCCC1.
What is the InChIKey of N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine?
The InChIKey is LMHMZEPKMNBCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-17-15(14(2)3)16(10-6-7-11-16)18-12-8-5-9-13-18/h15,17H,2,4-13H2,1,3H3.
What are the key properties of N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine?
N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(1-piperidin-1-ylcyclopentyl)prop-2-en-1-amine is sourced from PubChem (CID 79180291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).