N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

C17H36N2 — CID 63965864

IUPACN-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)N(C)CC1CC(C(C)C)CCC1NC
InChIInChI=1S/C17H36N2/c1-8-17(4,5)19(7)12-15-11-14(13(2)3)9-10-16(15)18-6/h13-16,18H,8-12H2,1-7H3
InChIKeyQJLUTGPMLKXMPF-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds6

About N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine

N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63965864) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63965864
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCC(C)(C)N(C)CC1CC(C(C)C)CCC1NC
InChIInChI=1S/C17H36N2/c1-8-17(4,5)19(7)12-15-11-14(13(2)3)9-10-16(15)18-6/h13-16,18H,8-12H2,1-7H3
InChIKeyQJLUTGPMLKXMPF-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclopentan-1-amine
CID 63966747
2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63957118
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
CID 63698976
2-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704719
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 107401543
N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63495395
N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
2-[[ethyl(2-methoxyethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55106257
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79858757
2-[cyclopropyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62708874

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63965864) is N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is CCC(C)(C)N(C)CC1CC(C(C)C)CCC1NC.
What is the InChIKey of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is QJLUTGPMLKXMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-8-17(4,5)19(7)12-15-11-14(13(2)3)9-10-16(15)18-6/h13-16,18H,8-12H2,1-7H3.
What are the key properties of N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine?
N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63965864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).