2-(1-cyclopropylpropan-2-ylamino)butan-1-ol

C10H21NO — CID 115705322

IUPAC2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
SMILESCCC(CO)NC(C)CC1CC1
InChIInChI=1S/C10H21NO/c1-3-10(7-12)11-8(2)6-9-4-5-9/h8-12H,3-7H2,1-2H3
InChIKeyAAPUZZDMBAEVRH-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds6

About 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol

2-(1-cyclopropylpropan-2-ylamino)butan-1-ol (PubChem CID 115705322) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
PubChem CID115705322
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
SMILESCCC(CO)NC(C)CC1CC1
InChIInChI=1S/C10H21NO/c1-3-10(7-12)11-8(2)6-9-4-5-9/h8-12H,3-7H2,1-2H3
InChIKeyAAPUZZDMBAEVRH-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115712084
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
CID 115723627
2-[1-(oxolan-2-yl)propan-2-ylamino]butan-1-ol
CID 115705336
(2R)-2-(1-cyclopentylethylamino)butan-1-ol
CID 103922643
N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine
CID 63988910
(2R)-2-[(1-cyclopropyl-2-methylpropyl)amino]butan-1-ol
CID 103922421
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
CID 115755956
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol?
The IUPAC name of 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol (CID 115705322) is 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol is CCC(CO)NC(C)CC1CC1.
What is the InChIKey of 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol?
The InChIKey is AAPUZZDMBAEVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-10(7-12)11-8(2)6-9-4-5-9/h8-12H,3-7H2,1-2H3.
What are the key properties of 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol?
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpropan-2-ylamino)butan-1-ol is sourced from PubChem (CID 115705322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).