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

C20H37N — CID 63508585

IUPACN-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(CNC2CC2)(CC2CCCC2)CC1
InChIInChI=1S/C20H37N/c1-19(2,3)17-10-12-20(13-11-17,15-21-18-8-9-18)14-16-6-4-5-7-16/h16-18,21H,4-15H2,1-3H3
InChIKeyVXMQKTARDJEEAQ-UHFFFAOYSA-N
MW291.52 g/mol
LogP5.54
Rot. Bonds5

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

N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine (PubChem CID 63508585) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
PubChem CID63508585
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine
SMILESCC(C)(C)C1CCC(CNC2CC2)(CC2CCCC2)CC1
InChIInChI=1S/C20H37N/c1-19(2,3)17-10-12-20(13-11-17,15-21-18-8-9-18)14-16-6-4-5-7-16/h16-18,21H,4-15H2,1-3H3
InChIKeyVXMQKTARDJEEAQ-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine (CID 63508585) is N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine is CC(C)(C)C1CCC(CNC2CC2)(CC2CCCC2)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is VXMQKTARDJEEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-19(2,3)17-10-12-20(13-11-17,15-21-18-8-9-18)14-16-6-4-5-7-16/h16-18,21H,4-15H2,1-3H3.
What are the key properties of N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine?
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 291.52 g/mol, XLogP of 5.54, 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-1-(cyclopentylmethyl)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 63508585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).