1-amino-4-cyclopropylbutan-2-ol

C7H15NO — CID 106590568

IUPAC1-amino-4-cyclopropylbutan-2-ol
SMILESNCC(O)CCC1CC1
InChIInChI=1S/C7H15NO/c8-5-7(9)4-3-6-1-2-6/h6-7,9H,1-5,8H2
InChIKeyXOEJDDONMSIMFG-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.50
Rot. Bonds4

About 1-amino-4-cyclopropylbutan-2-ol

1-amino-4-cyclopropylbutan-2-ol (PubChem CID 106590568) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-amino-4-cyclopropylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-cyclopropylbutan-2-ol
PubChem CID106590568
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-amino-4-cyclopropylbutan-2-ol
SMILESNCC(O)CCC1CC1
InChIInChI=1S/C7H15NO/c8-5-7(9)4-3-6-1-2-6/h6-7,9H,1-5,8H2
InChIKeyXOEJDDONMSIMFG-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65184761
1,5-dicyclohexylpentan-3-ol
CID 56981010
1-cyclopropyl-6,6,6-trifluorohexan-3-ol
CID 79952999
1-cyclopropylundecan-3-ol
CID 115810831
1-cyclopropyl-5-methylheptan-3-ol
CID 115810732
4-(3-hydroxyhexyl)cyclohexan-1-ol
CID 71198089
6-aminohexane-1,2,5-triol
CID 19694623
(2S)-4-cyclohexylbutane-1,2-diol
CID 11171243
5-amino-1-cyclopropyl-2-methylpentane-2,4-diol
CID 165438618
4-cyclopropyl-2-methoxybutan-1-amine
CID 130967935
1-amino-3-cyclobutylpropan-2-ol
CID 83478744
1-[1-(aminomethyl)cyclobutyl]-3-cyclopropylpropan-1-ol
CID 165447050

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-cyclopropylbutan-2-ol?
The IUPAC name of 1-amino-4-cyclopropylbutan-2-ol (CID 106590568) is 1-amino-4-cyclopropylbutan-2-ol.
What is the SMILES notation for 1-amino-4-cyclopropylbutan-2-ol?
The canonical SMILES for 1-amino-4-cyclopropylbutan-2-ol is NCC(O)CCC1CC1.
What is the InChIKey of 1-amino-4-cyclopropylbutan-2-ol?
The InChIKey is XOEJDDONMSIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c8-5-7(9)4-3-6-1-2-6/h6-7,9H,1-5,8H2.
What are the key properties of 1-amino-4-cyclopropylbutan-2-ol?
1-amino-4-cyclopropylbutan-2-ol has a molecular weight of 129.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-cyclopropylbutan-2-ol is sourced from PubChem (CID 106590568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).