3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine

C16H34N2O — CID 107869481

IUPAC3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCCOC1
InChIInChI=1S/C16H34N2O/c1-14(2)6-9-18(10-7-15(3)4)16(12-17)8-5-11-19-13-16/h14-15H,5-13,17H2,1-4H3
InChIKeyHIZYFDPHURLINA-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds8

About 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine

3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine (PubChem CID 107869481) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine
PubChem CID107869481
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCCOC1
InChIInChI=1S/C16H34N2O/c1-14(2)6-9-18(10-7-15(3)4)16(12-17)8-5-11-19-13-16/h14-15H,5-13,17H2,1-4H3
InChIKeyHIZYFDPHURLINA-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N,N-bis(2-methylpropyl)oxepan-4-amine
CID 65079214
1-(aminomethyl)-3,3-dimethyl-N,N-bis(3-methylbutyl)cyclohexan-1-amine
CID 107869553
3-(aminomethyl)-N,N-bis(3-methylbutyl)thian-3-amine
CID 107869460
N'-[3-(aminomethyl)oxan-3-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991920
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
4-(aminomethyl)-N-propan-2-yl-N-propyloxepan-4-amine
CID 65079379
6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine
CID 130559595
3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine
CID 107869444
3-(aminomethyl)-N,N-bis(3-methylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 107869506
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
3-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)oxolan-3-amine
CID 63335231
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)cyclopentan-1-amine
CID 43271983

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine (CID 107869481) is 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine is CC(C)CCN(CCC(C)C)C1(CN)CCCOC1.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine?
The InChIKey is HIZYFDPHURLINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2)6-9-18(10-7-15(3)4)16(12-17)8-5-11-19-13-16/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine?
3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-bis(3-methylbutyl)oxan-3-amine is sourced from PubChem (CID 107869481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).