N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine

C17H36N2O — CID 62390943

IUPACN-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNCC)CCOCC1
InChIInChI=1S/C17H36N2O/c1-4-7-11-19(12-8-5-2)16-17(15-18-6-3)9-13-20-14-10-17/h18H,4-16H2,1-3H3
InChIKeyFGWZAYZGKGJEKH-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds11

About N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine

N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine (PubChem CID 62390943) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine
PubChem CID62390943
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNCC)CCOCC1
InChIInChI=1S/C17H36N2O/c1-4-7-11-19(12-8-5-2)16-17(15-18-6-3)9-13-20-14-10-17/h18H,4-16H2,1-3H3
InChIKeyFGWZAYZGKGJEKH-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine (CID 62390943) is N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine is CCCCN(CCCC)CC1(CNCC)CCOCC1.
What is the InChIKey of N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine?
The InChIKey is FGWZAYZGKGJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-4-7-11-19(12-8-5-2)16-17(15-18-6-3)9-13-20-14-10-17/h18H,4-16H2,1-3H3.
What are the key properties of N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine?
N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 62390943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).