N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine

C14H25N — CID 104995383

IUPACN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
SMILESC#CC(NCC)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H25N/c1-5-13(15-6-2)14(11-12(3)4)9-7-8-10-14/h1,12-13,15H,6-11H2,2-4H3
InChIKeyGEPOPLAREVKYRU-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine

N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine (PubChem CID 104995383) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
PubChem CID104995383
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
SMILESC#CC(NCC)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H25N/c1-5-13(15-6-2)14(11-12(3)4)9-7-8-10-14/h1,12-13,15H,6-11H2,2-4H3
InChIKeyGEPOPLAREVKYRU-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine (CID 104995383) is N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine is C#CC(NCC)C1(CC(C)C)CCCC1.
What is the InChIKey of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
The InChIKey is GEPOPLAREVKYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-13(15-6-2)14(11-12(3)4)9-7-8-10-14/h1,12-13,15H,6-11H2,2-4H3.
What are the key properties of N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine?
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine is sourced from PubChem (CID 104995383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).