1-cyclopropyl-2-(pentan-3-ylamino)ethanol

C10H21NO — CID 63294536

IUPAC1-cyclopropyl-2-(pentan-3-ylamino)ethanol
SMILESCCC(CC)NCC(O)C1CC1
InChIInChI=1S/C10H21NO/c1-3-9(4-2)11-7-10(12)8-5-6-8/h8-12H,3-7H2,1-2H3
InChIKeyHAJJVWYMSGTIEJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds6

About 1-cyclopropyl-2-(pentan-3-ylamino)ethanol

1-cyclopropyl-2-(pentan-3-ylamino)ethanol (PubChem CID 63294536) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-(pentan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(pentan-3-ylamino)ethanol
PubChem CID63294536
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-cyclopropyl-2-(pentan-3-ylamino)ethanol
SMILESCCC(CC)NCC(O)C1CC1
InChIInChI=1S/C10H21NO/c1-3-9(4-2)11-7-10(12)8-5-6-8/h8-12H,3-7H2,1-2H3
InChIKeyHAJJVWYMSGTIEJ-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

1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
2-(hexan-3-ylamino)-1-(oxan-4-yl)ethanol
CID 115906358
1-cyclopentyl-2-(heptan-4-ylamino)ethanol
CID 115677140
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
CID 64668765
1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
CID 115716443
2-[(3-cyclopentyl-2-hydroxypropyl)amino]butan-1-ol
CID 103157267
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylbutanamide
CID 63294520
3-[(2-cyclopropyl-2-hydroxyethyl)amino]butanenitrile
CID 63296171
2-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]propyl]phenol
CID 63294662
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 77027459
3-methyl-1-(pentan-3-ylamino)butan-2-ol
CID 115720488
1-cyclopropyl-2-(prop-2-ynylamino)ethanol
CID 63299078

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(pentan-3-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(pentan-3-ylamino)ethanol (CID 63294536) is 1-cyclopropyl-2-(pentan-3-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(pentan-3-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(pentan-3-ylamino)ethanol is CCC(CC)NCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(pentan-3-ylamino)ethanol?
The InChIKey is HAJJVWYMSGTIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(4-2)11-7-10(12)8-5-6-8/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(pentan-3-ylamino)ethanol?
1-cyclopropyl-2-(pentan-3-ylamino)ethanol 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 1-cyclopropyl-2-(pentan-3-ylamino)ethanol is sourced from PubChem (CID 63294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).