1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine

C15H32N2O — CID 65088073

IUPAC1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCCN(CCOC)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-5-17(11-12-18-4)15(13-16)8-6-7-14(2,3)9-10-15/h5-13,16H2,1-4H3
InChIKeyAODLHYFGBPCVDJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds6

About 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65088073) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65088073
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCCN(CCOC)C1(CN)CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2O/c1-5-17(11-12-18-4)15(13-16)8-6-7-14(2,3)9-10-15/h5-13,16H2,1-4H3
InChIKeyAODLHYFGBPCVDJ-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62007526
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62008728
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62009113
1-(aminomethyl)-N-methyl-N-[2-(trifluoromethoxy)ethyl]cycloheptan-1-amine
CID 65805583
1-(aminomethyl)-N-ethyl-N-[2-(trifluoromethoxy)ethyl]cycloheptan-1-amine
CID 65805793
1-(aminomethyl)-N-propyl-N-[2-(trifluoromethoxy)ethyl]cycloheptan-1-amine
CID 65805794
(1-Morpholinocycloheptyl)methanamine
CID 16774192
N-methyl-1-(1-morpholin-4-ylcycloheptyl)methanamine
CID 57697835
[1-(2,6-Dimethylmorpholin-4-yl)cycloheptyl]methanamine
CID 24697713
[1-(2-Methylmorpholin-4-yl)cycloheptyl]methanamine
CID 24701265
[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cycloheptyl]methanamine
CID 28188785
[1-(3-Methylmorpholin-4-yl)cycloheptyl]methanamine
CID 43541954

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine (CID 65088073) is 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine is CCN(CCOC)C1(CN)CCCC(C)(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is AODLHYFGBPCVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-17(11-12-18-4)15(13-16)8-6-7-14(2,3)9-10-15/h5-13,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65088073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).