3-(1-cyclopropylbutylamino)pentan-1-ol

C12H25NO — CID 115770052

IUPAC3-(1-cyclopropylbutylamino)pentan-1-ol
SMILESCCCC(NC(CC)CCO)C1CC1
InChIInChI=1S/C12H25NO/c1-3-5-12(10-6-7-10)13-11(4-2)8-9-14/h10-14H,3-9H2,1-2H3
InChIKeyNKLDFWXKXYGEIF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds8

About 3-(1-cyclopropylbutylamino)pentan-1-ol

3-(1-cyclopropylbutylamino)pentan-1-ol (PubChem CID 115770052) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(1-cyclopropylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(1-cyclopropylbutylamino)pentan-1-ol
PubChem CID115770052
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(1-cyclopropylbutylamino)pentan-1-ol
SMILESCCCC(NC(CC)CCO)C1CC1
InChIInChI=1S/C12H25NO/c1-3-5-12(10-6-7-10)13-11(4-2)8-9-14/h10-14H,3-9H2,1-2H3
InChIKeyNKLDFWXKXYGEIF-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(3-methylpentan-2-ylamino)propan-1-ol
CID 115891712
(3R)-3-(1-cyclopropylpropylamino)butan-1-ol
CID 103871687
3-cyclopropyl-3-(1-cyclopropylethylamino)propan-1-ol
CID 115677287
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 115898508
3-(cyclopropylamino)pentan-1-ol
CID 83815190
(2S)-2-[(1-cyclopropyl-2-methoxyethyl)amino]butan-1-ol
CID 104981008
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
N-(1-cyclopropylbutyl)-1-methoxy-3-methylbutan-2-amine
CID 115770061
N-pentan-3-ylhexan-3-amine
CID 62118915
3-[(1-cyclopropylpropylamino)methyl]-5-methylhexan-1-ol
CID 115726083
3-(cycloheptylmethylamino)pentan-1-ol
CID 115685732
N-(1-cyclopropylpropyl)hydroxylamine
CID 82686074

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylbutylamino)pentan-1-ol?
The IUPAC name of 3-(1-cyclopropylbutylamino)pentan-1-ol (CID 115770052) is 3-(1-cyclopropylbutylamino)pentan-1-ol.
What is the SMILES notation for 3-(1-cyclopropylbutylamino)pentan-1-ol?
The canonical SMILES for 3-(1-cyclopropylbutylamino)pentan-1-ol is CCCC(NC(CC)CCO)C1CC1.
What is the InChIKey of 3-(1-cyclopropylbutylamino)pentan-1-ol?
The InChIKey is NKLDFWXKXYGEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-12(10-6-7-10)13-11(4-2)8-9-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-(1-cyclopropylbutylamino)pentan-1-ol?
3-(1-cyclopropylbutylamino)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylbutylamino)pentan-1-ol is sourced from PubChem (CID 115770052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).