N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine

C16H33NO — CID 103036769

IUPACN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine
SMILESCOC(C)(C)CCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C16H33NO/c1-14(2)17-13-16(9-7-6-8-10-16)12-11-15(3,4)18-5/h14,17H,6-13H2,1-5H3
InChIKeyBPHGKPUNOHALOY-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 103036769) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine
PubChem CID103036769
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine
SMILESCOC(C)(C)CCC1(CNC(C)C)CCCCC1
InChIInChI=1S/C16H33NO/c1-14(2)17-13-16(9-7-6-8-10-16)12-11-15(3,4)18-5/h14,17H,6-13H2,1-5H3
InChIKeyBPHGKPUNOHALOY-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(3,3-Dimethylcyclohexyl)amino]-2-methyl-2-heptanol
CID 45929523
2-(4-Methoxy-4-methylpentyl)piperidine
CID 121009823
N-(8-methoxy-7,7-dimethylnonan-4-yl)cyclohexanamine
CID 67674123
N-[7-(3-methoxy-3-methylbutoxy)-2,2,4,4,7-pentamethyloctyl]hentriacontan-16-amine
CID 123528447
N-[7-(3-methoxy-3-methylbutoxy)-2,2,4,4,7-pentamethyloctyl]hentetracontan-21-amine
CID 123690616
N-[7-(3-methoxy-3-methylbutoxy)-2,2,4,4,7-pentamethyloctyl]nonacosan-15-amine
CID 123877501
N-[7-(3-methoxy-3-methylbutoxy)-2,2,4,4,7-pentamethyloctyl]pentacosan-13-amine
CID 123889275
N-[7-(3-methoxy-3-methylbutoxy)-2,2,4,4,7-pentamethyloctyl]pentatriacontan-18-amine
CID 124013491
4-(5-methoxy-4-propylheptyl)-N-propan-2-ylcyclohexan-1-amine
CID 135269665
N-[4-(1,1-dimethoxyethyl)dodecyl]cyclohexanamine
CID 149762411
N-decyl-4-(2-methoxypentan-2-yl)dodecan-1-amine
CID 149921074
N-[4-(1,1-dimethoxyethyl)-4-(2-methyldecan-3-yl)tetradecyl]cyclohexanamine
CID 150095163

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine (CID 103036769) is N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine is COC(C)(C)CCC1(CNC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is BPHGKPUNOHALOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-14(2)17-13-16(9-7-6-8-10-16)12-11-15(3,4)18-5/h14,17H,6-13H2,1-5H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 103036769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).