1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine

C18H37NO — CID 116770521

IUPAC1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)C1(OC)CCCCCC1
InChIInChI=1S/C18H37NO/c1-5-15-19-17(12-10-11-16(2)3)18(20-4)13-8-6-7-9-14-18/h16-17,19H,5-15H2,1-4H3
InChIKeyHXFIWFRAVHEMIP-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds9

About 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine

1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 116770521) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
PubChem CID116770521
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)C1(OC)CCCCCC1
InChIInChI=1S/C18H37NO/c1-5-15-19-17(12-10-11-16(2)3)18(20-4)13-8-6-7-9-14-18/h16-17,19H,5-15H2,1-4H3
InChIKeyHXFIWFRAVHEMIP-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-(1-methoxycycloheptyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 116770476
1-(4-methoxyoxan-4-yl)-4-methyl-N-propylpentan-1-amine
CID 116765110
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
N-ethyl-1-(4-methoxyoxan-4-yl)-5-methylhexan-1-amine
CID 116765070
1-(1-methoxycyclopentyl)-3-methyl-N-propylbut-3-en-1-amine
CID 104611348
4-methyl-1-(1-methylcyclopentyl)-N-propylpentan-1-amine
CID 115834516
1-(1-methoxycyclohexyl)hexylhydrazine
CID 105276130
N-[1-(1-methoxycyclohexyl)-2-phenylethyl]propan-1-amine
CID 116763351
N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
1-(1-methoxycyclohexyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530787
1-(1-methoxycycloheptyl)heptylhydrazine
CID 105278282

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine (CID 116770521) is 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)C1(OC)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is HXFIWFRAVHEMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-15-19-17(12-10-11-16(2)3)18(20-4)13-8-6-7-9-14-18/h16-17,19H,5-15H2,1-4H3.
What are the key properties of 1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine?
1-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-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-(1-methoxycycloheptyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 116770521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).