1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine

C18H37NO — CID 116771907

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

About 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine

1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine (PubChem CID 116771907) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
PubChem CID116771907
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
SMILESCCCNC(CCCC(C)C)C(OC)C1CCCCC1
InChIInChI=1S/C18H37NO/c1-5-14-19-17(13-9-10-15(2)3)18(20-4)16-11-7-6-8-12-16/h15-19H,5-14H2,1-4H3
InChIKeySCZZPMJHRQUCBT-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-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
CID 116771861
1-cyclohexyl-1-methoxy-4-methyl-N-propylheptan-2-amine
CID 116771857
1-cyclohexyl-1-methoxy-N-propylhept-5-yn-2-amine
CID 116771813
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
(1-cyclohexyl-1-methoxynonan-2-yl)hydrazine
CID 105278607
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
1-cyclopropyl-1-methoxy-N-propylhex-5-yn-2-amine
CID 116722820
1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722
1-cyclopropyl-1-methoxy-4-methylsulfonyl-N-propylbutan-2-amine
CID 116722742
1-cyclohexyl-3-(furan-2-yl)-1-methoxy-N-propylpropan-2-amine
CID 116771852
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844
1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine?
The IUPAC name of 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine (CID 116771907) is 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine?
The canonical SMILES for 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine is CCCNC(CCCC(C)C)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine?
The InChIKey is SCZZPMJHRQUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-14-19-17(13-9-10-15(2)3)18(20-4)16-11-7-6-8-12-16/h15-19H,5-14H2,1-4H3.
What are the key properties of 1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine?
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-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-methoxy-6-methyl-N-propylheptan-2-amine is sourced from PubChem (CID 116771907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).