4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine

C13H24N2O — CID 66238347

IUPAC4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine
SMILESNC1COCC1CNCC(C1CC1)C1CC1
InChIInChI=1S/C13H24N2O/c14-13-8-16-7-11(13)5-15-6-12(9-1-2-9)10-3-4-10/h9-13,15H,1-8,14H2
InChIKeyJYACRFCPVOBYRE-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.99
Rot. Bonds6

About 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine

4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine (PubChem CID 66238347) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine
PubChem CID66238347
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine
SMILESNC1COCC1CNCC(C1CC1)C1CC1
InChIInChI=1S/C13H24N2O/c14-13-8-16-7-11(13)5-15-6-12(9-1-2-9)10-3-4-10/h9-13,15H,1-8,14H2
InChIKeyJYACRFCPVOBYRE-UHFFFAOYSA-N
XLogP0.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpropylamino)methyl]oxolan-3-amine
CID 66237931
4-[(2-methoxypropylamino)methyl]oxolan-3-amine
CID 102698761
4-[(2,2-dimethylpropylamino)methyl]oxolan-3-amine
CID 66238333
4-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]oxolan-3-amine
CID 79350394
4-[(2,2-dimethylbutylamino)methyl]oxolan-3-amine
CID 103462274
4-[(2-methoxyethylamino)methyl]oxolan-3-amine
CID 66236121
4-[(thiophen-3-ylmethylamino)methyl]oxolan-3-amine
CID 66238345
1-N-(2,2-dicyclopropylethyl)cyclobutane-1,3-diamine
CID 80562396
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 106012165
[(3R,4S)-4-aminooxolan-3-yl]methanol
CID 131463106
(3S,4R)-4-prop-2-enyloxolan-3-amine
CID 124660513

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine (CID 66238347) is 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine is NC1COCC1CNCC(C1CC1)C1CC1.
What is the InChIKey of 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine?
The InChIKey is JYACRFCPVOBYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-13-8-16-7-11(13)5-15-6-12(9-1-2-9)10-3-4-10/h9-13,15H,1-8,14H2.
What are the key properties of 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine?
4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dicyclopropylethylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 66238347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).