2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol

C13H26N2O2 — CID 64789409

IUPAC2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
SMILESCN(CC1CCCOC1)CC(N)(CO)C1CC1
InChIInChI=1S/C13H26N2O2/c1-15(7-11-3-2-6-17-8-11)9-13(14,10-16)12-4-5-12/h11-12,16H,2-10,14H2,1H3
InChIKeyTVUHGPMDNKVNJD-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol

2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol (PubChem CID 64789409) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
PubChem CID64789409
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
SMILESCN(CC1CCCOC1)CC(N)(CO)C1CC1
InChIInChI=1S/C13H26N2O2/c1-15(7-11-3-2-6-17-8-11)9-13(14,10-16)12-4-5-12/h11-12,16H,2-10,14H2,1H3
InChIKeyTVUHGPMDNKVNJD-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]butan-2-ol
CID 114495650
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 66010095
N-ethyl-N',2,2-trimethyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 63712871
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 63711953
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol (CID 64789409) is 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol is CN(CC1CCCOC1)CC(N)(CO)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
The InChIKey is TVUHGPMDNKVNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(7-11-3-2-6-17-8-11)9-13(14,10-16)12-4-5-12/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol?
2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 64789409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).