3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol

C13H27NO — CID 115724552

IUPAC3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(CC1CCC1)NC(CCO)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)13(7-8-15)14-11(3)9-12-5-4-6-12/h10-15H,4-9H2,1-3H3
InChIKeyJXBLEOPWPUPJOE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds7

About 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol

3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol (PubChem CID 115724552) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol
PubChem CID115724552
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol
SMILESCC(CC1CCC1)NC(CCO)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)13(7-8-15)14-11(3)9-12-5-4-6-12/h10-15H,4-9H2,1-3H3
InChIKeyJXBLEOPWPUPJOE-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclobutylpropan-2-ylamino)butan-1-ol
CID 115722186
4-methyl-3-[1-(oxolan-2-yl)propan-2-ylamino]pentan-1-ol
CID 115724586
3-(1-cyclopentylethylamino)-4-methylpentan-1-ol
CID 115724580
(2S)-3-methyl-2-[1-(oxan-4-yl)propan-2-ylamino]butan-1-ol
CID 103788127
3-(1-aminopropan-2-ylamino)-4-methylpentan-1-ol
CID 106348789
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
1-cyclobutyl-N-(1-cyclopentylethyl)propan-2-amine
CID 115720167
3-[(2,6-dimethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115724563
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
N-(1-cyclobutylethyl)-1-cyclopropylpropan-2-amine
CID 115719713
trans-(1S,2S)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106349423
CID 163832582
CID 163832582

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol (CID 115724552) is 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol is CC(CC1CCC1)NC(CCO)C(C)C.
What is the InChIKey of 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol?
The InChIKey is JXBLEOPWPUPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)13(7-8-15)14-11(3)9-12-5-4-6-12/h10-15H,4-9H2,1-3H3.
What are the key properties of 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol?
3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylpropan-2-ylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 115724552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).