N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

C15H29NO — CID 116769652

IUPACN-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CC1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H29NO/c1-5-16-13(12-6-7-12)15(17-4)10-8-14(2,3)9-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyZRXUCGKRCSSRLX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds5

About N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine

N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (PubChem CID 116769652) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
PubChem CID116769652
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
SMILESCCNC(C1CC1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C15H29NO/c1-5-16-13(12-6-7-12)15(17-4)10-8-14(2,3)9-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyZRXUCGKRCSSRLX-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylcyclohexyl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770366
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
N-[cyclopropyl-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 104611352
[cycloheptyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105278004
2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769556
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
N-[cyclohexyl-(1-methoxycycloheptyl)methyl]propan-1-amine
CID 116770430
N-[(3-ethylcyclohexyl)-(1-methoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116766696
cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755683
1-(3,5-dimethylcyclohexyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylmethanamine
CID 116769246
[(3,5-dimethylcyclohexyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105278079

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine (CID 116769652) is N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is CCNC(C1CC1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
The InChIKey is ZRXUCGKRCSSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-16-13(12-6-7-12)15(17-4)10-8-14(2,3)9-11-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine?
N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116769652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).