1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine

C12H26N2O2 — CID 79520557

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
SMILESCOCCCN(CCOC)C1(CN)CCC1
InChIInChI=1S/C12H26N2O2/c1-15-9-4-7-14(8-10-16-2)12(11-13)5-3-6-12/h3-11,13H2,1-2H3
InChIKeyZGFHJOJONLOVFJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds9

About 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine (PubChem CID 79520557) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
PubChem CID79520557
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
SMILESCOCCCN(CCOC)C1(CN)CCC1
InChIInChI=1S/C12H26N2O2/c1-15-9-4-7-14(8-10-16-2)12(11-13)5-3-6-12/h3-11,13H2,1-2H3
InChIKeyZGFHJOJONLOVFJ-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 54985469
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-(aminomethyl)-N-(4-methoxybutyl)-N-propylcyclopentan-1-amine
CID 104647261
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
1-(aminomethyl)-N-(3-methoxypropyl)-N,4,4-trimethylcycloheptan-1-amine
CID 65088133
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
4-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-1-methylpiperidin-4-amine
CID 61448644
1-(aminomethyl)-N-[2-(3-methoxypropoxy)ethyl]-4-methyl-N-propylcyclohexan-1-amine
CID 103178113

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine (CID 79520557) is 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine is COCCCN(CCOC)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine?
The InChIKey is ZGFHJOJONLOVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-9-4-7-14(8-10-16-2)12(11-13)5-3-6-12/h3-11,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine is sourced from PubChem (CID 79520557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).