3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol

C17H34N2O2 — CID 102870858

IUPAC3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
SMILESCC(C)NCC1(CN(CCCO)C2CCC2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-15(2)18-12-17(8-4-11-21-14-17)13-19(9-5-10-20)16-6-3-7-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyRHQZICZFULYUGY-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.02
Rot. Bonds9

About 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol

3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol (PubChem CID 102870858) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
PubChem CID102870858
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol
SMILESCC(C)NCC1(CN(CCCO)C2CCC2)CCCOC1
InChIInChI=1S/C17H34N2O2/c1-15(2)18-12-17(8-4-11-21-14-17)13-19(9-5-10-20)16-6-3-7-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyRHQZICZFULYUGY-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol with MolForge

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Related Compounds

N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-propylcyclopropanamine
CID 63739769
5-[methyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]pentan-1-ol
CID 107204713
3-[propan-2-yl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]propan-1-ol
CID 55056362
N-methyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 55242043
2-[cyclopentyl-[[3-(hydroxymethyl)oxan-3-yl]methyl]amino]ethanol
CID 63745392
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]cyclohexanamine
CID 62262409
N-butyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-1-amine
CID 63742061
3-[cyclobutyl-[[4-(ethylaminomethyl)oxan-4-yl]methyl]amino]propan-1-ol
CID 102870849
2-[ethyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62258450
2-[[3-(aminomethyl)oxan-3-yl]methyl-cyclopropylamino]ethanol
CID 63740897
2-[methyl-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]amino]ethanol
CID 62255840
2-[cyclobutyl-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]amino]ethanol
CID 102871050

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol (CID 102870858) is 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol is CC(C)NCC1(CN(CCCO)C2CCC2)CCCOC1.
What is the InChIKey of 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
The InChIKey is RHQZICZFULYUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-15(2)18-12-17(8-4-11-21-14-17)13-19(9-5-10-20)16-6-3-7-16/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol?
3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol has a molecular weight of 298.47 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]amino]propan-1-ol is sourced from PubChem (CID 102870858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).