trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol

C12H23NO2 — CID 102734490

IUPACtrans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
SMILESCN(CC1CCCCO1)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H23NO2/c1-13(11-6-4-7-12(11)14)9-10-5-2-3-8-15-10/h10-12,14H,2-9H2,1H3/t10?,11-,12-/m0/s1
InChIKeyHTUVPURMLAMSLU-RAMGSTBQSA-N
MW213.32 g/mol
LogP1.40
Rot. Bonds3

About trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol

trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol (PubChem CID 102734490) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
PubChem CID102734490
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametrans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol
SMILESCN(CC1CCCCO1)[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H23NO2/c1-13(11-6-4-7-12(11)14)9-10-5-2-3-8-15-10/h10-12,14H,2-9H2,1H3/t10?,11-,12-/m0/s1
InChIKeyHTUVPURMLAMSLU-RAMGSTBQSA-N
XLogP1.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
N-methyl-N-(oxan-2-ylmethyl)oxetan-3-amine
CID 130605523
2-[cyclopropylmethyl(methyl)amino]cyclopentan-1-ol
CID 60985143
3-[methyl(oxolan-2-ylmethyl)amino]cyclopentan-1-ol
CID 79643838
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
1-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79122440
trans-(1S,2S)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]cyclohexan-1-ol
CID 102732161
N,4-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 81459927
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol (CID 102734490) is trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol is CN(CC1CCCCO1)[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol?
The InChIKey is HTUVPURMLAMSLU-RAMGSTBQSA-N. The full InChI is InChI=1S/C12H23NO2/c1-13(11-6-4-7-12(11)14)9-10-5-2-3-8-15-10/h10-12,14H,2-9H2,1H3/t10?,11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol?
trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[methyl(oxan-2-ylmethyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).