3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine

C16H34N2O — CID 107869444

IUPAC3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCOC1C
InChIInChI=1S/C16H34N2O/c1-13(2)6-9-18(10-7-14(3)4)16(12-17)8-11-19-15(16)5/h13-15H,6-12,17H2,1-5H3
InChIKeyXMWLEOQCUINDKX-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds8

About 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine

3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine (PubChem CID 107869444) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine
PubChem CID107869444
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine
SMILESCC(C)CCN(CCC(C)C)C1(CN)CCOC1C
InChIInChI=1S/C16H34N2O/c1-13(2)6-9-18(10-7-14(3)4)16(12-17)8-11-19-15(16)5/h13-15H,6-12,17H2,1-5H3
InChIKeyXMWLEOQCUINDKX-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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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine (CID 107869444) is 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine is CC(C)CCN(CCC(C)C)C1(CN)CCOC1C.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine?
The InChIKey is XMWLEOQCUINDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)6-9-18(10-7-14(3)4)16(12-17)8-11-19-15(16)5/h13-15H,6-12,17H2,1-5H3.
What are the key properties of 3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine?
3-(aminomethyl)-2-methyl-N,N-bis(3-methylbutyl)oxolan-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)-2-methyl-N,N-bis(3-methylbutyl)oxolan-3-amine is sourced from PubChem (CID 107869444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).