N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine

C13H27NO — CID 104530181

IUPACN-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(NC(C)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-10(13(2,3)4)14-11-6-8-12(15-5)9-7-11/h10-12,14H,6-9H2,1-5H3
InChIKeyOGNHQBMKWPKNHA-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine

N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine (PubChem CID 104530181) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine
PubChem CID104530181
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine
SMILESCOC1CCC(NC(C)C(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-10(13(2,3)4)14-11-6-8-12(15-5)9-7-11/h10-12,14H,6-9H2,1-5H3
InChIKeyOGNHQBMKWPKNHA-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutan-2-yl)cyclododecanamine
CID 104827794
N-(3,3-dimethylbutan-2-yl)cyclooctanamine
CID 104827916
(2R)-2-[(4-methoxycyclohexyl)amino]propan-1-ol
CID 114983116
4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 104860348
3-[(4-methoxycyclohexyl)amino]-2-methylbutan-1-ol
CID 104530280
N-(3,3-dimethylbutan-2-yl)-4-propylcycloheptan-1-amine
CID 113457752
4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 104530318
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115910663
N-(3,3-dimethylbutan-2-yl)oxan-3-amine
CID 115717971
ethane;1-methoxy-4-propan-2-ylcyclohexane
CID 178120184
N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
CID 131161365

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine (CID 104530181) is N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine is COC1CCC(NC(C)C(C)(C)C)CC1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine?
The InChIKey is OGNHQBMKWPKNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(13(2,3)4)14-11-6-8-12(15-5)9-7-11/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine?
N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-4-methoxycyclohexan-1-amine is sourced from PubChem (CID 104530181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).