N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine

C15H32N2O — CID 63967172

IUPACN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C15H32N2O/c1-7-14(4,5)17(6)11-15(8-9-18-12-15)10-16-13(2)3/h13,16H,7-12H2,1-6H3
InChIKeyMDBSBNZMAKQGBA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine

N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine (PubChem CID 63967172) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
PubChem CID63967172
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)CC1(CNC(C)C)CCOC1
InChIInChI=1S/C15H32N2O/c1-7-14(4,5)17(6)11-15(8-9-18-12-15)10-16-13(2)3/h13,16H,7-12H2,1-6H3
InChIKeyMDBSBNZMAKQGBA-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
CID 63965868
N,N,N'-trimethyl-N'-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]ethane-1,2-diamine
CID 55226596
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-1-amine
CID 62263966
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
CID 103191393
N-[[3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 63234760
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
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,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine (CID 63967172) is N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine is CCC(C)(C)N(C)CC1(CNC(C)C)CCOC1.
What is the InChIKey of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine?
The InChIKey is MDBSBNZMAKQGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-14(4,5)17(6)11-15(8-9-18-12-15)10-16-13(2)3/h13,16H,7-12H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine?
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 63967172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).