4-(1-cyclopropylethylamino)butan-2-ol

C9H19NO — CID 64911110

IUPAC4-(1-cyclopropylethylamino)butan-2-ol
SMILESCC(O)CCNC(C)C1CC1
InChIInChI=1S/C9H19NO/c1-7(11)5-6-10-8(2)9-3-4-9/h7-11H,3-6H2,1-2H3
InChIKeyCYCCURNXULAZBH-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds5

About 4-(1-cyclopropylethylamino)butan-2-ol

4-(1-cyclopropylethylamino)butan-2-ol (PubChem CID 64911110) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)butan-2-ol
PubChem CID64911110
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(1-cyclopropylethylamino)butan-2-ol
SMILESCC(O)CCNC(C)C1CC1
InChIInChI=1S/C9H19NO/c1-7(11)5-6-10-8(2)9-3-4-9/h7-11H,3-6H2,1-2H3
InChIKeyCYCCURNXULAZBH-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
4-[1-(1-ethylpiperidin-4-yl)ethylamino]butan-2-ol
CID 64913210
(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 93082136
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
5-(dicyclopropylmethylamino)pentan-2-ol
CID 107270439
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 43190130
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1-cyclopropyl-N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]ethanamine
CID 79183276
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-3-ol
CID 113497532

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)butan-2-ol?
The IUPAC name of 4-(1-cyclopropylethylamino)butan-2-ol (CID 64911110) is 4-(1-cyclopropylethylamino)butan-2-ol.
What is the SMILES notation for 4-(1-cyclopropylethylamino)butan-2-ol?
The canonical SMILES for 4-(1-cyclopropylethylamino)butan-2-ol is CC(O)CCNC(C)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylamino)butan-2-ol?
The InChIKey is CYCCURNXULAZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(11)5-6-10-8(2)9-3-4-9/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-(1-cyclopropylethylamino)butan-2-ol?
4-(1-cyclopropylethylamino)butan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)butan-2-ol is sourced from PubChem (CID 64911110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).