N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine

C17H35NO — CID 103965624

IUPACN-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOC(C)(C)CC(C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-13(9-17(6,7)19-8)18-14-10-15(2,3)12-16(4,5)11-14/h13-14,18H,9-12H2,1-8H3
InChIKeyUVQXVNLHQULVLM-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.38
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine

N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103965624) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103965624
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCOC(C)(C)CC(C)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-13(9-17(6,7)19-8)18-14-10-15(2,3)12-16(4,5)11-14/h13-14,18H,9-12H2,1-8H3
InChIKeyUVQXVNLHQULVLM-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine with MolForge

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Related Compounds

N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64732467
N-(1-methoxy-3-methylbutan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682160
N-(4-methoxy-4-methylpentan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115724640
tert-butyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]azetidine-1-carboxylate
CID 103788152
[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
CID 103784997
N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylcyclopentan-1-amine
CID 64908217
N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
CID 63277832
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652
3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65066289
N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 103786640
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103965624) is N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine is COC(C)(C)CC(C)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is UVQXVNLHQULVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-13(9-17(6,7)19-8)18-14-10-15(2,3)12-16(4,5)11-14/h13-14,18H,9-12H2,1-8H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine?
N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103965624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).