3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine

C18H38N2 — CID 54504755

IUPAC3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine
SMILESCC(C)CNCC1(C)CC(NCC(C)C)CC(C)(C)C1
InChIInChI=1S/C18H38N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h14-16,19-20H,8-13H2,1-7H3
InChIKeyYEXCJWBABSEWTQ-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.06
Rot. Bonds7

About 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine

3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine (PubChem CID 54504755) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine
PubChem CID54504755
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine
SMILESCC(C)CNCC1(C)CC(NCC(C)C)CC(C)(C)C1
InChIInChI=1S/C18H38N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h14-16,19-20H,8-13H2,1-7H3
InChIKeyYEXCJWBABSEWTQ-UHFFFAOYSA-N
XLogP4.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine (CID 54504755) is 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine is CC(C)CNCC1(C)CC(NCC(C)C)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine?
The InChIKey is YEXCJWBABSEWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-14(2)10-19-13-18(7)9-16(20-11-15(3)4)8-17(5,6)12-18/h14-16,19-20H,8-13H2,1-7H3.
What are the key properties of 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 54504755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).