4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine

C15H31NO2 — CID 116770246

IUPAC4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine
SMILESCNC(C(C)CCOC)C1(OC)CCCCCC1
InChIInChI=1S/C15H31NO2/c1-13(9-12-17-3)14(16-2)15(18-4)10-7-5-6-8-11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyNONXKXZYSSOMGU-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.99
Rot. Bonds7

About 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine

4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine (PubChem CID 116770246) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine
PubChem CID116770246
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine
SMILESCNC(C(C)CCOC)C1(OC)CCCCCC1
InChIInChI=1S/C15H31NO2/c1-13(9-12-17-3)14(16-2)15(18-4)10-7-5-6-8-11-15/h13-14,16H,5-12H2,1-4H3
InChIKeyNONXKXZYSSOMGU-UHFFFAOYSA-N
XLogP2.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(4-methoxyoxan-4-yl)-N,2-dimethylbutan-1-amine
CID 116764854
4-methoxy-1-(1-methoxycycloheptyl)-2-methylbutan-1-amine
CID 116770014
1-(1-methoxycyclohexyl)-N,2-dimethylpropan-1-amine
CID 116762957
2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762975
N-ethyl-1-(1-methoxycycloheptyl)-2-methylpentan-1-amine
CID 114013846
1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 116764282
[4-methoxy-2-methyl-1-(1-methylcyclopentyl)butyl]hydrazine
CID 105337921
4-methoxy-1-(4-methoxyoxan-4-yl)-2-methyl-N-propylbutan-1-amine
CID 116765269
1-(1-methoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116766531
4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine
CID 116769240
N-(4-methoxybutan-2-yl)-1-methylcyclopentan-1-amine
CID 115595180
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine (CID 116770246) is 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine is CNC(C(C)CCOC)C1(OC)CCCCCC1.
What is the InChIKey of 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine?
The InChIKey is NONXKXZYSSOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-13(9-12-17-3)14(16-2)15(18-4)10-7-5-6-8-11-15/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine?
4-methoxy-1-(1-methoxycycloheptyl)-N,2-dimethylbutan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 2.99, 7 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)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116770246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).