1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine

C18H37NO — CID 103032084

IUPAC1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CC1CCCCCC1
InChIInChI=1S/C18H37NO/c1-5-14-19-17(12-13-18(2,3)20-4)15-16-10-8-6-7-9-11-16/h16-17,19H,5-15H2,1-4H3
InChIKeyFYVHOQKQPUTQIH-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds9

About 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine

1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine (PubChem CID 103032084) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
PubChem CID103032084
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)OC)CC1CCCCCC1
InChIInChI=1S/C18H37NO/c1-5-14-19-17(12-13-18(2,3)20-4)15-16-10-8-6-7-9-11-16/h16-17,19H,5-15H2,1-4H3
InChIKeyFYVHOQKQPUTQIH-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclopentyl-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 79196998
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 105135576
6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
CID 103032094
1-cyclohexyl-5-methoxy-5-methylhexan-2-amine
CID 103031159
1-(3-ethylcyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103035736
1-cyclohexyl-6,6-dimethyl-N-propylheptan-3-amine
CID 115849970
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The IUPAC name of 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine (CID 103032084) is 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The canonical SMILES for 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)OC)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
The InChIKey is FYVHOQKQPUTQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-14-19-17(12-13-18(2,3)20-4)15-16-10-8-6-7-9-11-16/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine?
1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine has a molecular weight of 283.50 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-methoxy-5-methyl-N-propylhexan-2-amine is sourced from PubChem (CID 103032084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).