N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine

C14H25N — CID 114977002

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

About N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine

N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine (PubChem CID 114977002) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine
PubChem CID114977002
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine
SMILESC#CCC(NC)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H25N/c1-5-8-13(15-4)14(11-12(2)3)9-6-7-10-14/h1,12-13,15H,6-11H2,2-4H3
InChIKeyOQJXWRAAQODSNJ-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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Related Compounds

N-methyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
CID 104995384
N,3-dimethyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-en-1-amine
CID 105003819
3-cyclopropyl-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]propan-1-amine
CID 104994759
1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
CID 116770145
2-(4-ethylphenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115802983
N-methyl-1-(2-methylthiolan-2-yl)but-3-yn-1-amine
CID 105077554
N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]prop-2-yn-1-amine
CID 104995383
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 105030314
2-(4-bromothiophen-2-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 115847589
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105000202
2-(4-chloro-2-fluorophenyl)-N-methyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105055222
1-[1-(2-methylpropyl)cyclopentyl]ethylhydrazine
CID 105282594

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine?
The IUPAC name of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine (CID 114977002) is N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine?
The canonical SMILES for N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine is C#CCC(NC)C1(CC(C)C)CCCC1.
What is the InChIKey of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine?
The InChIKey is OQJXWRAAQODSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-8-13(15-4)14(11-12(2)3)9-6-7-10-14/h1,12-13,15H,6-11H2,2-4H3.
What are the key properties of N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine?
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-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-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine is sourced from PubChem (CID 114977002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).