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

C19H35N — CID 81030395

IUPACN-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(CC)CC1CC(C(C)(C)C)CCC1CNC1CC1
InChIInChI=1S/C19H35N/c1-6-14(2)11-16-12-17(19(3,4)5)8-7-15(16)13-20-18-9-10-18/h15-18,20H,2,6-13H2,1,3-5H3
InChIKeyQMBHACCEGVWELD-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.17
Rot. Bonds6

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

N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 81030395) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID81030395
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
SMILESC=C(CC)CC1CC(C(C)(C)C)CCC1CNC1CC1
InChIInChI=1S/C19H35N/c1-6-14(2)11-16-12-17(19(3,4)5)8-7-15(16)13-20-18-9-10-18/h15-18,20H,2,6-13H2,1,3-5H3
InChIKeyQMBHACCEGVWELD-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
CID 81031141
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81022824
N-[[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine
CID 81029583
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
N-[(4-tert-butyl-2-phenylcyclohexyl)methyl]cyclopropanamine
CID 81023628
N-methyl-1-[2-(2-methylidenebutyl)-4-propylcyclohexyl]methanamine
CID 81029595
4-tert-butyl-2-(2-methylidenebutyl)cyclohexan-1-one
CID 66047404
[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
CID 81012662
N-[[4-tert-butyl-2-(3-methylthiophen-2-yl)cyclohexyl]methyl]cyclopropanamine
CID 81023751
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[[4-tert-butyl-2-(ethoxymethyl)cyclohexyl]methyl]propan-1-amine
CID 81030913
2-(2-methylidenebutyl)bicyclo[2.1.0]pentane
CID 123554631

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine (CID 81030395) is N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine is C=C(CC)CC1CC(C(C)(C)C)CCC1CNC1CC1.
What is the InChIKey of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is QMBHACCEGVWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-6-14(2)11-16-12-17(19(3,4)5)8-7-15(16)13-20-18-9-10-18/h15-18,20H,2,6-13H2,1,3-5H3.
What are the key properties of N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-tert-butyl-2-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 277.50 g/mol, XLogP of 5.17, 6 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-(2-methylidenebutyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81030395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).