N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C17H35NO — CID 106675122

IUPACN-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCC(C)(C)OC)CC1
InChIInChI=1S/C17H35NO/c1-7-16(2,3)14-8-10-15(11-9-14)18-13-12-17(4,5)19-6/h14-15,18H,7-13H2,1-6H3
InChIKeyUUMVLCPBQWEPQY-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds7

About N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 106675122) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID106675122
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(NCCC(C)(C)OC)CC1
InChIInChI=1S/C17H35NO/c1-7-16(2,3)14-8-10-15(11-9-14)18-13-12-17(4,5)19-6/h14-15,18H,7-13H2,1-6H3
InChIKeyUUMVLCPBQWEPQY-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]ethanol
CID 43085230
N-(2-cyclohexylethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63448545
methyl 4-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butanoate
CID 60782419
1-cyclopropyl-N-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 106675336
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
4-(2-methylbutan-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexan-1-amine
CID 115653405
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
1-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 103035040
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 106675122) is N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(NCCC(C)(C)OC)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is UUMVLCPBQWEPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-7-16(2,3)14-8-10-15(11-9-14)18-13-12-17(4,5)19-6/h14-15,18H,7-13H2,1-6H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 106675122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).