butylcyclohexane;N-methylmethanamine

C12H27N — CID 174941558

IUPACbutylcyclohexane;N-methylmethanamine
SMILESCCCCC1CCCCC1.CNC
InChIInChI=1S/C10H20.C2H7N/c1-2-3-7-10-8-5-4-6-9-10;1-3-2/h10H,2-9H2,1H3;3H,1-2H3
InChIKeyJILOKUWXEJCFLK-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds3

About butylcyclohexane;N-methylmethanamine

butylcyclohexane;N-methylmethanamine (PubChem CID 174941558) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is butylcyclohexane;N-methylmethanamine.

Molecular Properties

Compound Namebutylcyclohexane;N-methylmethanamine
PubChem CID174941558
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Namebutylcyclohexane;N-methylmethanamine
SMILESCCCCC1CCCCC1.CNC
InChIInChI=1S/C10H20.C2H7N/c1-2-3-7-10-8-5-4-6-9-10;1-3-2/h10H,2-9H2,1H3;3H,1-2H3
InChIKeyJILOKUWXEJCFLK-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 171376493
CID 171376493
1-butyl-4-propylcyclononane
CID 123467552
1-butyl-4-(2-cyclopentylethyl)cyclohexane
CID 157379859
1-butyl-5-cyclohexylcyclopentadecane
CID 58552501
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
tetradecylcyclododecane
CID 169026037
octylcyclotetradecane
CID 175261841
azane;heptylcyclohexane
CID 121434222
butylcyclohexane;pyrrolidine
CID 145242408
1-butyl-4-methylcyclooctane
CID 123623113
ethene;pentylcyclopentane
CID 145442606

Frequently Asked Questions

What is the IUPAC name of butylcyclohexane;N-methylmethanamine?
The IUPAC name of butylcyclohexane;N-methylmethanamine (CID 174941558) is butylcyclohexane;N-methylmethanamine.
What is the SMILES notation for butylcyclohexane;N-methylmethanamine?
The canonical SMILES for butylcyclohexane;N-methylmethanamine is CCCCC1CCCCC1.CNC.
What is the InChIKey of butylcyclohexane;N-methylmethanamine?
The InChIKey is JILOKUWXEJCFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H7N/c1-2-3-7-10-8-5-4-6-9-10;1-3-2/h10H,2-9H2,1H3;3H,1-2H3.
What are the key properties of butylcyclohexane;N-methylmethanamine?
butylcyclohexane;N-methylmethanamine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylcyclohexane;N-methylmethanamine is sourced from PubChem (CID 174941558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).