4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine

C14H30N2O — CID 79476725

IUPAC4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
SMILESCCC(C)CN(CC)C1(CN)CCOC(C)C1
InChIInChI=1S/C14H30N2O/c1-5-12(3)10-16(6-2)14(11-15)7-8-17-13(4)9-14/h12-13H,5-11,15H2,1-4H3
InChIKeyMKAULSQWTPBRCD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds6

About 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine

4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine (PubChem CID 79476725) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
PubChem CID79476725
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
SMILESCCC(C)CN(CC)C1(CN)CCOC(C)C1
InChIInChI=1S/C14H30N2O/c1-5-12(3)10-16(6-2)14(11-15)7-8-17-13(4)9-14/h12-13H,5-11,15H2,1-4H3
InChIKeyMKAULSQWTPBRCD-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,2-diethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine
CID 79477711
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcyclohexan-1-amine
CID 79476914
1-(aminomethyl)-N-ethyl-3,3,5,5-tetramethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 115999151
1-(aminomethyl)-N,3-dimethyl-N-(2-methylbutyl)cyclobutan-1-amine
CID 103562600
1-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-4-propylcycloheptan-1-amine
CID 79477400
2-(aminomethyl)-N-ethyl-N-(2-methylbutyl)-1,3-dihydroinden-2-amine
CID 79477209
1-(aminomethyl)-4-methyl-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 63487333
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64745254
2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79481522
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
1-(aminomethyl)-N,4-dimethyl-N-(2-methylbutyl)cycloheptan-1-amine
CID 65084874

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine (CID 79476725) is 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine is CCC(C)CN(CC)C1(CN)CCOC(C)C1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
The InChIKey is MKAULSQWTPBRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-12(3)10-16(6-2)14(11-15)7-8-17-13(4)9-14/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine?
4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-2-methyl-N-(2-methylbutyl)oxan-4-amine is sourced from PubChem (CID 79476725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).