N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C17H31N — CID 114190488

IUPACN-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1CC#CC(C)(C)C
InChIInChI=1S/C17H31N/c1-14(2)12-18-13-16-9-6-8-15(16)10-7-11-17(3,4)5/h14-16,18H,6,8-10,12-13H2,1-5H3
InChIKeyZJHVLXWWRCHRJJ-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.09
Rot. Bonds5

About N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 114190488) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID114190488
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1CC#CC(C)(C)C
InChIInChI=1S/C17H31N/c1-14(2)12-18-13-16-9-6-8-15(16)10-7-11-17(3,4)5/h14-16,18H,6,8-10,12-13H2,1-5H3
InChIKeyZJHVLXWWRCHRJJ-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.09
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-[[2-(4,4-dimethylpent-2-ynyl)cyclohexyl]methyl]propan-2-amine
CID 114190489
N-[(2-but-2-ynylcycloheptyl)methyl]-2-methylpropan-1-amine
CID 81025136
2-methyl-N-[(2-prop-2-ynylcyclopentyl)methyl]propan-1-amine
CID 81028351
N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114210659
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 106735505
N-[[2-(cyclohexylmethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024505
N-[[2-(methoxymethyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024790
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-[[2-(2,2-dimethylpropyl)oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 79364846
2-methyl-N-[[2-[(4-methylphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81027821
N-(cyclobutylmethyl)-4,4-dimethylpent-2-yn-1-amine
CID 130478456
2-methyl-N-[(2-methyloxan-3-yl)methyl]propan-1-amine
CID 79365304

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 114190488) is N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1CC#CC(C)(C)C.
What is the InChIKey of N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZJHVLXWWRCHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-14(2)12-18-13-16-9-6-8-15(16)10-7-11-17(3,4)5/h14-16,18H,6,8-10,12-13H2,1-5H3.
What are the key properties of N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4,4-dimethylpent-2-ynyl)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114190488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).