N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine

C18H33N — CID 104813978

IUPACN-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine
SMILESCC#CCCC1CC(C(C)(C)C)CCC1CNCC
InChIInChI=1S/C18H33N/c1-6-8-9-10-15-13-17(18(3,4)5)12-11-16(15)14-19-7-2/h15-17,19H,7,9-14H2,1-5H3
InChIKeyZUUNKIPGEDZPCF-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.48
Rot. Bonds5

About N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine

N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine (PubChem CID 104813978) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine
PubChem CID104813978
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC NameN-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine
SMILESCC#CCCC1CC(C(C)(C)C)CCC1CNCC
InChIInChI=1S/C18H33N/c1-6-8-9-10-15-13-17(18(3,4)5)12-11-16(15)14-19-7-2/h15-17,19H,7,9-14H2,1-5H3
InChIKeyZUUNKIPGEDZPCF-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.48
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-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]propan-1-amine
CID 104813979
N-[(4-tert-butyl-2-cyclopentylcyclohexyl)methyl]ethanamine
CID 81031059
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022443
(4-tert-butyl-2-but-3-ynylcyclohexyl)methanamine
CID 81012794
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81030913
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-[[2-(3,3-dimethylbutyl)-4-ethylcyclohexyl]methyl]ethanamine
CID 81031709
1-(2-but-3-enyl-4-tert-butylcyclohexyl)-N-methylmethanamine
CID 81030458
N-[[4-tert-butyl-2-(2-methylpentyl)cyclohexyl]methyl]propan-1-amine
CID 81022950
N-[[4-tert-butyl-2-(3-chlorophenyl)cyclohexyl]methyl]ethanamine
CID 81022944
N-[[4-tert-butyl-2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]ethanamine
CID 115375702

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine (CID 104813978) is N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine is CC#CCCC1CC(C(C)(C)C)CCC1CNCC.
What is the InChIKey of N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine?
The InChIKey is ZUUNKIPGEDZPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-6-8-9-10-15-13-17(18(3,4)5)12-11-16(15)14-19-7-2/h15-17,19H,7,9-14H2,1-5H3.
What are the key properties of N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine?
N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine has a molecular weight of 263.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-2-pent-3-ynylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 104813978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).