1-cyclohexyl-4-methoxy-4-methylpentan-2-amine

C13H27NO — CID 103025087

IUPAC1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)CC1CCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)10-12(14)9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3
InChIKeyUSBYRKRAJORPOC-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds5

About 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine

1-cyclohexyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 103025087) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
PubChem CID103025087
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclohexyl-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)CC1CCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)10-12(14)9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3
InChIKeyUSBYRKRAJORPOC-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
1-cyclohexyl-3-methoxy-3-methylbutan-2-amine
CID 103717838
1-cyclohexyl-3-methoxy-3-methylpentan-2-amine
CID 116757435
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1-cyclopentyl-5,5-dimethylhexan-2-amine
CID 115850049
1-cyclohexyl-5-methoxyhexan-2-amine
CID 105135842
1-cyclohexyl-5-methoxypentan-2-amine
CID 65092031
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
N-(cyclohexylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 115757000

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine (CID 103025087) is 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is USBYRKRAJORPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,15-3)10-12(14)9-11-7-5-4-6-8-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine?
1-cyclohexyl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103025087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).