2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol

C12H23NO2 — CID 115685825

IUPAC2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCC1CCOCC1)C1CC1
InChIInChI=1S/C12H23NO2/c1-12(9-14,11-2-3-11)13-8-10-4-6-15-7-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyNVQKMFRPSXLEPR-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.16
Rot. Bonds5

About 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol

2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol (PubChem CID 115685825) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
PubChem CID115685825
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol
SMILESCC(CO)(NCC1CCOCC1)C1CC1
InChIInChI=1S/C12H23NO2/c1-12(9-14,11-2-3-11)13-8-10-4-6-15-7-5-10/h10-11,13-14H,2-9H2,1H3
InChIKeyNVQKMFRPSXLEPR-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
2-cyclopropyl-2-(oxolan-3-ylamino)propan-1-ol
CID 115927733
2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
CID 115129369
2,2-dimethyl-5-(oxan-4-ylmethylamino)pentan-1-ol
CID 115685739
2-cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 61045652
methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
CID 97220901
1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
CID 65025269
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
2-cyclopropyl-2-(3-methylbutylamino)propan-1-ol
CID 75453473
N-methyl-1-(oxan-4-yl)methanamine
CID 22225668

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol (CID 115685825) is 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol is CC(CO)(NCC1CCOCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol?
The InChIKey is NVQKMFRPSXLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(9-14,11-2-3-11)13-8-10-4-6-15-7-5-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol?
2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(oxan-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 115685825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).