1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine

C16H33NO — CID 114013848

IUPAC1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine
SMILESCCCC(C)C(NCC)C(OC)C1CCCCC1
InChIInChI=1S/C16H33NO/c1-5-10-13(3)15(17-6-2)16(18-4)14-11-8-7-9-12-14/h13-17H,5-12H2,1-4H3
InChIKeyZIHRLRMZSFWGIR-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds8

About 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine

1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine (PubChem CID 114013848) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine
PubChem CID114013848
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine
SMILESCCCC(C)C(NCC)C(OC)C1CCCCC1
InChIInChI=1S/C16H33NO/c1-5-10-13(3)15(17-6-2)16(18-4)14-11-8-7-9-12-14/h13-17H,5-12H2,1-4H3
InChIKeyZIHRLRMZSFWGIR-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
CID 116771723
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-cyclohexyl-1-methoxy-4-methyl-N-propylheptan-2-amine
CID 116771857
1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700
1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
CID 115842188
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
[(2R)-3-methylhexan-2-yl]cyclopentane
CID 163746154
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722
acetaldehyde;ethane;(1-methoxy-2-methylheptyl)cycloheptane
CID 144942769
1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
CID 107896950

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine (CID 114013848) is 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine is CCCC(C)C(NCC)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine?
The InChIKey is ZIHRLRMZSFWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-10-13(3)15(17-6-2)16(18-4)14-11-8-7-9-12-14/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine?
1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine is sourced from PubChem (CID 114013848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).