N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine

C15H32N2O — CID 62262712

IUPACN-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNC)CCOC1
InChIInChI=1S/C15H32N2O/c1-4-6-9-17(10-7-5-2)13-15(12-16-3)8-11-18-14-15/h16H,4-14H2,1-3H3
InChIKeyCKLQHAXOPPSOFD-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds10

About N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine

N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine (PubChem CID 62262712) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
PubChem CID62262712
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNC)CCOC1
InChIInChI=1S/C15H32N2O/c1-4-6-9-17(10-7-5-2)13-15(12-16-3)8-11-18-14-15/h16H,4-14H2,1-3H3
InChIKeyCKLQHAXOPPSOFD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-propylamino]ethanol
CID 62260430
3-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(3-methylbutyl)butan-1-amine
CID 107871141
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N,N,N'-triethyl-N'-[[4-(methylaminomethyl)oxan-4-yl]methyl]propane-1,3-diamine
CID 102997192
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62262394
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 63954673
N-ethyl-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-1-amine
CID 62392172
N-[[3-[(dipropylamino)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62263014
2-[[3-(methylaminomethyl)oxolan-3-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486899

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine (CID 62262712) is N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine is CCCCN(CCCC)CC1(CNC)CCOC1.
What is the InChIKey of N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine?
The InChIKey is CKLQHAXOPPSOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-6-9-17(10-7-5-2)13-15(12-16-3)8-11-18-14-15/h16H,4-14H2,1-3H3.
What are the key properties of N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine?
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 62262712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).