N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C20H41N — CID 81022443

IUPACN-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CCC1CC(C(C)(C)C)CCC1CNCC(C)C
InChIInChI=1S/C20H41N/c1-15(2)8-9-17-12-19(20(5,6)7)11-10-18(17)14-21-13-16(3)4/h15-19,21H,8-14H2,1-7H3
InChIKeyDNWHRHFGZXWVEO-UHFFFAOYSA-N
MW295.56 g/mol
LogP5.75
Rot. Bonds7

About N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81022443) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81022443
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CCC1CC(C(C)(C)C)CCC1CNCC(C)C
InChIInChI=1S/C20H41N/c1-15(2)8-9-17-12-19(20(5,6)7)11-10-18(17)14-21-13-16(3)4/h15-19,21H,8-14H2,1-7H3
InChIKeyDNWHRHFGZXWVEO-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 55.75
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-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81022443) is N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is CC(C)CCC1CC(C(C)(C)C)CCC1CNCC(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is DNWHRHFGZXWVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-15(2)8-9-17-12-19(20(5,6)7)11-10-18(17)14-21-13-16(3)4/h15-19,21H,8-14H2,1-7H3.
What are the key properties of N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[4-tert-butyl-2-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 5.75, 7 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-(3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81022443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).