N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine

C16H27N — CID 81029586

IUPACN-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine
SMILESC#CCCC1CC(CC)CCC1CNC1CC1
InChIInChI=1S/C16H27N/c1-3-5-6-14-11-13(4-2)7-8-15(14)12-17-16-9-10-16/h1,13-17H,4-12H2,2H3
InChIKeyXAWVCCNUPTWFTJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.59
Rot. Bonds6

About N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine

N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81029586) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine
PubChem CID81029586
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine
SMILESC#CCCC1CC(CC)CCC1CNC1CC1
InChIInChI=1S/C16H27N/c1-3-5-6-14-11-13(4-2)7-8-15(14)12-17-16-9-10-16/h1,13-17H,4-12H2,2H3
InChIKeyXAWVCCNUPTWFTJ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.59
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-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106735608
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
4-ethyl-N-hex-5-ynylcyclohexan-1-amine
CID 115694178
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
3-but-3-ynyl-N-methylcyclopentan-1-amine
CID 64505187
N-but-3-ynyl-4-propylcyclohexan-1-amine
CID 63656858
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 104813951
N-[[4-ethyl-2-(3-methylcyclohexyl)cyclohexyl]methyl]cyclopropanamine
CID 81029060
N-[[2-(4-chlorophenyl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81029797

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine (CID 81029586) is N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine is C#CCCC1CC(CC)CCC1CNC1CC1.
What is the InChIKey of N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is XAWVCCNUPTWFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-5-6-14-11-13(4-2)7-8-15(14)12-17-16-9-10-16/h1,13-17H,4-12H2,2H3.
What are the key properties of N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine?
N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 233.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-ynyl-4-ethylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81029586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).