1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine

C18H37NO — CID 107896952

IUPAC1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
SMILESCCCNC(C(C)CCC)C(OCC)C1CCCCC1
InChIInChI=1S/C18H37NO/c1-5-11-15(4)17(19-14-6-2)18(20-7-3)16-12-9-8-10-13-16/h15-19H,5-14H2,1-4H3
InChIKeyPSYICWOUWJWCLE-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds10

About 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine

1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine (PubChem CID 107896952) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
PubChem CID107896952
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
SMILESCCCNC(C(C)CCC)C(OCC)C1CCCCC1
InChIInChI=1S/C18H37NO/c1-5-11-15(4)17(19-14-6-2)18(20-7-3)16-12-9-8-10-13-16/h15-19H,5-14H2,1-4H3
InChIKeyPSYICWOUWJWCLE-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-ethyl-1-methoxy-3-methylhexan-2-amine
CID 114013848
1-cyclohexyl-1-ethoxy-3-methylhexan-2-amine
CID 107896950
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
(1-cyclohexyl-1-ethoxy-5-methoxy-3-methylpentan-2-yl)hydrazine
CID 105278797
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 116772492
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclohexyl-1-methoxy-4-methyl-N-propylheptan-2-amine
CID 116771857
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine (CID 107896952) is 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine is CCCNC(C(C)CCC)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine?
The InChIKey is PSYICWOUWJWCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-11-15(4)17(19-14-6-2)18(20-7-3)16-12-9-8-10-13-16/h15-19H,5-14H2,1-4H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine?
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 107896952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).