N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine

C15H29N — CID 81031457

IUPACN-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(C(C)(C)C)C1
InChIInChI=1S/C15H29N/c1-11-5-6-12(10-16-13-7-8-13)14(9-11)15(2,3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyPARVLSVJSYPUIE-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.84
Rot. Bonds3

About N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine

N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine (PubChem CID 81031457) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
PubChem CID81031457
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(C(C)(C)C)C1
InChIInChI=1S/C15H29N/c1-11-5-6-12(10-16-13-7-8-13)14(9-11)15(2,3)4/h11-14,16H,5-10H2,1-4H3
InChIKeyPARVLSVJSYPUIE-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine
CID 81034695
N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031901
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032436
N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
CID 114477751
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438
N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 113474785
N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
N-[[2-[(4-fluoro-2-methylphenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114350178
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
CID 81031141
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine (CID 81031457) is N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine is CC1CCC(CNC2CC2)C(C(C)(C)C)C1.
What is the InChIKey of N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is PARVLSVJSYPUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-11-5-6-12(10-16-13-7-8-13)14(9-11)15(2,3)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine?
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 223.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 81031457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).