(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol

C8H17NO — CID 93082136

IUPAC(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)C1CC1
InChIInChI=1S/C8H17NO/c1-6(10)5-9-7(2)8-3-4-8/h6-10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyJQBMEBUMNOGPCY-NKWVEPMBSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds4

About (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol

(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol (PubChem CID 93082136) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
PubChem CID93082136
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
SMILESC[C@H](O)CN[C@H](C)C1CC1
InChIInChI=1S/C8H17NO/c1-6(10)5-9-7(2)8-3-4-8/h6-10H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyJQBMEBUMNOGPCY-NKWVEPMBSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
(2R)-1-(dicyclopropylmethylamino)propan-2-ol
CID 93082129
3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
CID 103740416
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
5-(1-cyclohexylethylamino)-4-methylpentan-2-ol
CID 111755682
4-(1-cyclopropylethylamino)-3-methylbutan-1-ol
CID 66089907
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1-[[(1S)-1-cycloheptylethyl]amino]-3-(dimethylamino)propan-2-ol
CID 81393172
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
1-cyclopentyl-3-(1-cyclopentylethylamino)propan-2-ol
CID 103157832

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol (CID 93082136) is (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol is C[C@H](O)CN[C@H](C)C1CC1.
What is the InChIKey of (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
The InChIKey is JQBMEBUMNOGPCY-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(10)5-9-7(2)8-3-4-8/h6-10H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol?
(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol is sourced from PubChem (CID 93082136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).