N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine

C17H36N2O — CID 63741075

IUPACN-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC1(CNCC)CCCOC1)C(C)CC
InChIInChI=1S/C17H36N2O/c1-5-8-11-19(16(4)6-2)14-17(13-18-7-3)10-9-12-20-15-17/h16,18H,5-15H2,1-4H3
InChIKeyHTVXSPMSASHUFI-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds10

About N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine

N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine (PubChem CID 63741075) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
PubChem CID63741075
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CC1(CNCC)CCCOC1)C(C)CC
InChIInChI=1S/C17H36N2O/c1-5-8-11-19(16(4)6-2)14-17(13-18-7-3)10-9-12-20-15-17/h16,18H,5-15H2,1-4H3
InChIKeyHTVXSPMSASHUFI-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Analyze N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 63739653
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002
N-(cyclopropylmethyl)-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]propan-1-amine
CID 63740150
N-[[3-[[propan-2-yl(propyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741893
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
N-[[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methyl]-2-methylpropan-1-amine
CID 63739766
N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
The IUPAC name of N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine (CID 63741075) is N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine is CCCCN(CC1(CNCC)CCCOC1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
The InChIKey is HTVXSPMSASHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-8-11-19(16(4)6-2)14-17(13-18-7-3)10-9-12-20-15-17/h16,18H,5-15H2,1-4H3.
What are the key properties of N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine?
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 63741075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).