N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine

C15H32N2O — CID 62391508

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)CC1(CN)CCOCC1
InChIInChI=1S/C15H32N2O/c1-4-14(5-2)11-17(6-3)13-15(12-16)7-9-18-10-8-15/h14H,4-13,16H2,1-3H3
InChIKeyBRUYMMZPIKREDK-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds8

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine (PubChem CID 62391508) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine
PubChem CID62391508
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine
SMILESCCC(CC)CN(CC)CC1(CN)CCOCC1
InChIInChI=1S/C15H32N2O/c1-4-14(5-2)11-17(6-3)13-15(12-16)7-9-18-10-8-15/h14H,4-13,16H2,1-3H3
InChIKeyBRUYMMZPIKREDK-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 115440019
2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071785
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 62262051
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 62390646
3-[[4-(bromomethyl)oxan-4-yl]methyl-ethylamino]-2-methylpropanenitrile
CID 65004300
[3-[[ethyl(2-methylpropyl)amino]methyl]oxolan-3-yl]methanol
CID 62270740
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62392039
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79489290
N-[[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 63495742
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 115453707
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine (CID 62391508) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine is CCC(CC)CN(CC)CC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine?
The InChIKey is BRUYMMZPIKREDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-14(5-2)11-17(6-3)13-15(12-16)7-9-18-10-8-15/h14H,4-13,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N,2-diethylbutan-1-amine is sourced from PubChem (CID 62391508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).