N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine

C18H38N2O — CID 63742061

IUPACN-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C18H38N2O/c1-5-7-11-20(12-8-6-2)15-18(14-19-17(3)4)10-9-13-21-16-18/h17,19H,5-16H2,1-4H3
InChIKeyDVMBCQGIIMBUQS-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.68
Rot. Bonds11

About N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine

N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine (PubChem CID 63742061) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
PubChem CID63742061
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)CC1(CNC(C)C)CCCOC1
InChIInChI=1S/C18H38N2O/c1-5-7-11-20(12-8-6-2)15-18(14-19-17(3)4)10-9-13-21-16-18/h17,19H,5-16H2,1-4H3
InChIKeyDVMBCQGIIMBUQS-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
N-[[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742234
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
N-butyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]butan-1-amine
CID 62262712
N-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
CID 63746410
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
CID 63965868

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine (CID 63742061) is N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine is CCCCN(CCCC)CC1(CNC(C)C)CCCOC1.
What is the InChIKey of N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
The InChIKey is DVMBCQGIIMBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-7-11-20(12-8-6-2)15-18(14-19-17(3)4)10-9-13-21-16-18/h17,19H,5-16H2,1-4H3.
What are the key properties of N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine?
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine is sourced from PubChem (CID 63742061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).