(3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine

C15H29NO — CID 80683799

IUPAC(3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine
SMILESCC1CCC(C(N)C2(C)CCCCO2)CC1C
InChIInChI=1S/C15H29NO/c1-11-6-7-13(10-12(11)2)14(16)15(3)8-4-5-9-17-15/h11-14H,4-10,16H2,1-3H3
InChIKeyRAZXZUJTIFXYQH-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.35
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine

(3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine (PubChem CID 80683799) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine
PubChem CID80683799
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine
SMILESCC1CCC(C(N)C2(C)CCCCO2)CC1C
InChIInChI=1S/C15H29NO/c1-11-6-7-13(10-12(11)2)14(16)15(3)8-4-5-9-17-15/h11-14H,4-10,16H2,1-3H3
InChIKeyRAZXZUJTIFXYQH-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyloxan-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 80683428
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
(3,4-dimethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 116766285
(3,5-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanol
CID 80685818
2-cyclopropyl-1-(2-methyloxan-2-yl)ethanol
CID 80684699
1-(2-methyloxan-2-yl)-2-propan-2-yloxyethanamine
CID 80683812
2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
CID 164658390
[cyclopropyl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105202513
[cyclobutyl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105224480
(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
CID 107189199
1-[(3,4-dimethylcyclohexyl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79064554
1-(3,4-dimethylcyclohexyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770194

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine?
The IUPAC name of (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine (CID 80683799) is (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine is CC1CCC(C(N)C2(C)CCCCO2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine?
The InChIKey is RAZXZUJTIFXYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-6-7-13(10-12(11)2)14(16)15(3)8-4-5-9-17-15/h11-14H,4-10,16H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine?
(3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine has a molecular weight of 239.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(2-methyloxan-2-yl)methanamine is sourced from PubChem (CID 80683799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).