2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol

C10H21NO — CID 114750802

IUPAC2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
SMILESCCC(C)NCC1(CCO)CC1
InChIInChI=1S/C10H21NO/c1-3-9(2)11-8-10(4-5-10)6-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyZRZSHBWBBAKXJP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds6

About 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 114750802) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
PubChem CID114750802
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
SMILESCCC(C)NCC1(CCO)CC1
InChIInChI=1S/C10H21NO/c1-3-9(2)11-8-10(4-5-10)6-7-12/h9,11-12H,3-8H2,1-2H3
InChIKeyZRZSHBWBBAKXJP-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-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750822
2-[1-[(1-cyclobutylpropan-2-ylamino)methyl]cyclobutyl]ethanol
CID 115894748
2-[1-[(dicyclopropylmethylamino)methyl]cyclopropyl]ethanol
CID 114750677
2-[1-[(1-cyclopentylethylamino)methyl]cyclobutyl]ethanol
CID 115894754
N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine
CID 115438135
N-[(1-propan-2-ylcyclopropyl)methyl]butan-2-amine
CID 103903233
CID 148887826
CID 148887826
(butan-2-ylamino)methanol;ethane
CID 143420847
2-[3-[(2-methylpentan-3-ylamino)methyl]oxolan-3-yl]ethanol
CID 115728890
2-[1-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750621
N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
CID 63143274
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol (CID 114750802) is 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol is CCC(C)NCC1(CCO)CC1.
What is the InChIKey of 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is ZRZSHBWBBAKXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(2)11-8-10(4-5-10)6-7-12/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]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 2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 114750802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).