N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

C16H33N — CID 81029701

IUPACN-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CC(C)C
InChIInChI=1S/C16H33N/c1-6-17-11-15-8-7-14(13(4)5)10-16(15)9-12(2)3/h12-17H,6-11H2,1-5H3
InChIKeyQCOGNPOUVPBTPV-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.33
Rot. Bonds6

About N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine

N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 81029701) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID81029701
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C(C)C)CC1CC(C)C
InChIInChI=1S/C16H33N/c1-6-17-11-15-8-7-14(13(4)5)10-16(15)9-12(2)3/h12-17H,6-11H2,1-5H3
InChIKeyQCOGNPOUVPBTPV-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-(cyclopentylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81029843
N-[(2-but-3-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 81030000
N-[(2-pent-4-ynyl-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 113374690
N-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026249
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255
N-[[4-propan-2-yl-2-(2-thiophen-2-ylethyl)cyclohexyl]methyl]ethanamine
CID 81029489
2-methyl-N-[[2-(2-methylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81031122
N-methyl-1-(4-propan-2-yl-2-propylcyclohexyl)methanamine
CID 81028967
N-[[2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81030002
2-methyl-N-[(2-pentan-2-yl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 107889423

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 81029701) is N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C(C)C)CC1CC(C)C.
What is the InChIKey of N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is QCOGNPOUVPBTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-17-11-15-8-7-14(13(4)5)10-16(15)9-12(2)3/h12-17H,6-11H2,1-5H3.
What are the key properties of N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 239.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81029701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).