4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine

C16H32N2 — CID 115213767

IUPAC4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CNCC(C)(C)C2CCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,14-5-4-6-14)12-18-11-13-7-9-15(17-3)10-8-13/h13-15,17-18H,4-12H2,1-3H3
InChIKeyZCBQYURMTISQOE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.18
Rot. Bonds6

About 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine

4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine (PubChem CID 115213767) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine
PubChem CID115213767
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CNCC(C)(C)C2CCC2)CC1
InChIInChI=1S/C16H32N2/c1-16(2,14-5-4-6-14)12-18-11-13-7-9-15(17-3)10-8-13/h13-15,17-18H,4-12H2,1-3H3
InChIKeyZCBQYURMTISQOE-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2-cyclopentyl-2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 115239975
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
N-(azetidin-3-ylmethyl)-2-cyclohexyl-2-methylpropan-1-amine
CID 115208032
4-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclohexan-1-one
CID 115240315
2-cyclobutyl-2-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 115209786
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
1-[(2-cyclobutyl-2-methylpropyl)amino]propan-2-one
CID 115235348
2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261517
2-cyclobutyl-2-methyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 115209472
1-N-(cyclopropylmethyl)-2-methylpropane-1,2-diamine
CID 61264893
2-[(2-cyclohexyl-2-methylpropyl)amino]acetaldehyde
CID 115223611

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine (CID 115213767) is 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine is CNC1CCC(CNCC(C)(C)C2CCC2)CC1.
What is the InChIKey of 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is ZCBQYURMTISQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2,14-5-4-6-14)12-18-11-13-7-9-15(17-3)10-8-13/h13-15,17-18H,4-12H2,1-3H3.
What are the key properties of 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine?
4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 115213767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).