4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine

C14H29NO2 — CID 116770014

IUPAC4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)C1(OC)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-12(8-11-16-2)13(15)14(17-3)9-6-4-5-7-10-14/h12-13H,4-11,15H2,1-3H3
InChIKeyCYHCIMMTRPEZJG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.73
Rot. Bonds6

About 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine

4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine (PubChem CID 116770014) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine
PubChem CID116770014
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine
SMILESCOCCC(C)C(N)C1(OC)CCCCCC1
InChIInChI=1S/C14H29NO2/c1-12(8-11-16-2)13(15)14(17-3)9-6-4-5-7-10-14/h12-13H,4-11,15H2,1-3H3
InChIKeyCYHCIMMTRPEZJG-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine
CID 116769240
4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine
CID 116770246
[4-methoxy-2-methyl-1-(1-methylcyclopentyl)butyl]hydrazine
CID 105337921
5-methoxy-1-(1-methoxycyclobutyl)-3-methylpentan-2-amine
CID 103559873
1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 116764282
4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine
CID 116764854
1-(1-methoxycyclohexyl)-N,2-dimethylpropan-1-amine
CID 116762957
1-(1-methoxycycloheptyl)hexan-1-amine
CID 116769766
N-ethyl-1-(1-methoxycycloheptyl)-2-methylpentan-1-amine
CID 114013846
1-(1-methoxycycloheptyl)butylhydrazine
CID 105278151
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-aminocyclohexyl)-5-methoxy-3-methylpentan-2-one
CID 116578997

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine (CID 116770014) is 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine is COCCC(C)C(N)C1(OC)CCCCCC1.
What is the InChIKey of 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine?
The InChIKey is CYHCIMMTRPEZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(8-11-16-2)13(15)14(17-3)9-6-4-5-7-10-14/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine?
4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine is sourced from PubChem (CID 116770014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).