(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol

C14H29NO2 — CID 95357731

IUPAC(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
SMILESCC(C)CC[C@@H](C)NC[C@@H](O)COCC1CC1
InChIInChI=1S/C14H29NO2/c1-11(2)4-5-12(3)15-8-14(16)10-17-9-13-6-7-13/h11-16H,4-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyYIIAGXFPGSZVKZ-TZMCWYRMSA-N
MW243.39 g/mol
LogP2.19
Rot. Bonds10

About (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol

(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol (PubChem CID 95357731) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
PubChem CID95357731
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol
SMILESCC(C)CC[C@@H](C)NC[C@@H](O)COCC1CC1
InChIInChI=1S/C14H29NO2/c1-11(2)4-5-12(3)15-8-14(16)10-17-9-13-6-7-13/h11-16H,4-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyYIIAGXFPGSZVKZ-TZMCWYRMSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-(4-methylcyclohexyl)oxy-3-(5-methylhexan-2-ylamino)propan-2-ol
CID 60634451
1-(1-cyclohexylethylamino)-3-(cyclopropylmethoxy)propan-2-ol
CID 55069456
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 60760036
1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938520
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-(cyclopropylmethoxy)propan-2-ol
CID 60635528
1-(cyclopropylmethoxy)-3-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]propan-2-ol
CID 110010368
3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]butan-1-ol
CID 83177777
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]-3-fluorobenzonitrile
CID 110028596
1-(cyclopropylmethoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633025
1-(cyclopropylmethoxy)-3-methoxypropan-2-ol
CID 59975026
1-(cyclopropylmethoxy)-3-[[(1R)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 81404785
(2R)-1-[[(2S)-5-methylhexan-2-yl]amino]propan-2-ol
CID 93081921

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol (CID 95357731) is (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol is CC(C)CC[C@@H](C)NC[C@@H](O)COCC1CC1.
What is the InChIKey of (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol?
The InChIKey is YIIAGXFPGSZVKZ-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)4-5-12(3)15-8-14(16)10-17-9-13-6-7-13/h11-16H,4-10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol?
(2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropylmethoxy)-3-[[(2R)-5-methylhexan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 95357731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).