1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine

C12H26N2O — CID 81059702

IUPAC1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
SMILESCCOCCN(C)C1(CN)CCC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-15-8-7-14(3)12(10-13)6-5-11(2)9-12/h11H,4-10,13H2,1-3H3
InChIKeyWYZARTCUPVPYSC-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds6

About 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine

1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine (PubChem CID 81059702) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
PubChem CID81059702
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine
SMILESCCOCCN(C)C1(CN)CCC(C)C1
InChIInChI=1S/C12H26N2O/c1-4-15-8-7-14(3)12(10-13)6-5-11(2)9-12/h11H,4-10,13H2,1-3H3
InChIKeyWYZARTCUPVPYSC-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-(aminomethyl)-N-(2-ethoxyethyl)-N-methyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107429111
2-[2-[[1-(aminomethyl)-4-methylcyclohexyl]-methylamino]ethoxy]ethanol
CID 62006206
1-(aminomethyl)-N-(3-ethoxypropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65176634
4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
CID 81059601
1-(aminomethyl)-N,3-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588440
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N-(3-methoxypropyl)-N,4-dimethylcyclohexan-1-amine
CID 62006737
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylcyclopentan-1-amine
CID 105413972
3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine
CID 81059404
1-(aminomethyl)-N,4-dimethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
CID 112588438
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylcyclopentan-1-amine
CID 81059701

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine (CID 81059702) is 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine is CCOCCN(C)C1(CN)CCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine?
The InChIKey is WYZARTCUPVPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-15-8-7-14(3)12(10-13)6-5-11(2)9-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine?
1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 81059702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).