N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine

C17H35NO — CID 103074527

IUPACN-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
SMILESCC(CNC(C)(C)C)COC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-13-8-15(10-17(6,7)9-13)19-12-14(2)11-18-16(3,4)5/h13-15,18H,8-12H2,1-7H3
InChIKeyMJJOKSSDGOFHAI-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.24
Rot. Bonds5

About N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine

N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine (PubChem CID 103074527) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
PubChem CID103074527
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
SMILESCC(CNC(C)(C)C)COC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H35NO/c1-13-8-15(10-17(6,7)9-13)19-12-14(2)11-18-16(3,4)5/h13-15,18H,8-12H2,1-7H3
InChIKeyMJJOKSSDGOFHAI-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropanethioamide
CID 43368861
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
2-methyl-N-[2-(3,3,5-trimethylcyclohexyl)oxyethyl]butan-2-amine
CID 62598683
2-methyl-N-[3-(3,3,5-trimethylcyclohexyl)oxypropyl]propan-1-amine
CID 62455277
1-cyclopentyl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 104748909
2-methyl-2-(propan-2-ylamino)-5-(3,3,5-trimethylcyclohexyl)oxypentan-1-ol
CID 64802731
(2S)-1-(4-methylpiperazin-1-yl)-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropane-2-thiol
CID 34065860
(2S)-1-(4-ethylpiperazin-1-yl)-3-[(1R,5R)-3,3,5-trimethylcyclohexyl]oxypropane-2-thiol
CID 51622716
2-[2-(3,3,5-trimethylcyclohexyl)oxyethoxy]propanoic acid
CID 114266560
(2R)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 124794765
3-methyl-N-propan-2-yl-2-(3,3,5-trimethylcyclohexyl)oxybutan-1-amine
CID 63492137
N-methyl-1-(2-methylphenyl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 63475452

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine (CID 103074527) is N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine is CC(CNC(C)(C)C)COC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
The InChIKey is MJJOKSSDGOFHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-13-8-15(10-17(6,7)9-13)19-12-14(2)11-18-16(3,4)5/h13-15,18H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine?
N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 103074527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).