N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine

C18H38N2O — CID 62391874

IUPACN-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
SMILESCCCCN(CC1(CNC(C)C)CCOCC1)C(C)CC
InChIInChI=1S/C18H38N2O/c1-6-8-11-20(17(5)7-2)15-18(14-19-16(3)4)9-12-21-13-10-18/h16-17,19H,6-15H2,1-5H3
InChIKeyHBAMFNVLVJQUSR-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.68
Rot. Bonds10

About N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine

N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine (PubChem CID 62391874) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
PubChem CID62391874
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC NameN-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
SMILESCCCCN(CC1(CNC(C)C)CCOCC1)C(C)CC
InChIInChI=1S/C18H38N2O/c1-6-8-11-20(17(5)7-2)15-18(14-19-16(3)4)9-12-21-13-10-18/h16-17,19H,6-15H2,1-5H3
InChIKeyHBAMFNVLVJQUSR-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-(2-methoxyethyl)-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 62260342
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
N-propan-2-yl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 63483998
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
N-butyl-N-[[1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]butan-1-amine
CID 63482182
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
The IUPAC name of N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine (CID 62391874) is N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine is CCCCN(CC1(CNC(C)C)CCOCC1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
The InChIKey is HBAMFNVLVJQUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-6-8-11-20(17(5)7-2)15-18(14-19-16(3)4)9-12-21-13-10-18/h16-17,19H,6-15H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine?
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.68, 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-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 62391874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).