N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine

C20H39N — CID 63507892

IUPACN-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39N/c1-5-6-7-8-13-20(16-21-18-9-10-18)14-11-17(12-15-20)19(2,3)4/h17-18,21H,5-16H2,1-4H3
InChIKeySUJBTCBXMMOSJG-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.93
Rot. Bonds8

About N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine

N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine (PubChem CID 63507892) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
PubChem CID63507892
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC NameN-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C20H39N/c1-5-6-7-8-13-20(16-21-18-9-10-18)14-11-17(12-15-20)19(2,3)4/h17-18,21H,5-16H2,1-4H3
InChIKeySUJBTCBXMMOSJG-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine (CID 63507892) is N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine is CCCCCCC1(CNC2CC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is SUJBTCBXMMOSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-5-6-7-8-13-20(16-21-18-9-10-18)14-11-17(12-15-20)19(2,3)4/h17-18,21H,5-16H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine?
N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 293.54 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hexylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 63507892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).