4-(3-methylbut-2-enylamino)pentan-1-ol

C10H21NO — CID 103522661

IUPAC4-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNC(C)CCCO
InChIInChI=1S/C10H21NO/c1-9(2)6-7-11-10(3)5-4-8-12/h6,10-12H,4-5,7-8H2,1-3H3
InChIKeyBFSDLAYRECGFRR-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds6

About 4-(3-methylbut-2-enylamino)pentan-1-ol

4-(3-methylbut-2-enylamino)pentan-1-ol (PubChem CID 103522661) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-(3-methylbut-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(3-methylbut-2-enylamino)pentan-1-ol
PubChem CID103522661
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-(3-methylbut-2-enylamino)pentan-1-ol
SMILESCC(C)=CCNC(C)CCCO
InChIInChI=1S/C10H21NO/c1-9(2)6-7-11-10(3)5-4-8-12/h6,10-12H,4-5,7-8H2,1-3H3
InChIKeyBFSDLAYRECGFRR-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(3-Methylbut-2-enylamino)pentan-1-ol
CID 107302858
4-Methyl-2-(2-methylprop-2-enylamino)pentan-1-ol
CID 62331701
3-[(Prop-2-enylamino)methyl]pentan-1-ol
CID 80289365
3-[(2-Methylprop-2-enylamino)methyl]pentan-1-ol
CID 80290662
4-(2-Methylprop-2-enylamino)pentan-1-ol
CID 80294183
4-(2-Methylidenebutylamino)pentan-1-ol
CID 80294582
4-(Prop-2-enylamino)pentan-1-ol
CID 80294693
4-(2-Bromoprop-2-enylamino)pentan-1-ol
CID 80294799
4-(2-Chloroprop-2-enylamino)pentan-1-ol
CID 80295328
4-(But-3-enylamino)pentan-1-ol
CID 80295622
4-(Pent-4-enylamino)pentan-1-ol
CID 80295735
4-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]pentan-1-ol
CID 80300582

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enylamino)pentan-1-ol?
The IUPAC name of 4-(3-methylbut-2-enylamino)pentan-1-ol (CID 103522661) is 4-(3-methylbut-2-enylamino)pentan-1-ol.
What is the SMILES notation for 4-(3-methylbut-2-enylamino)pentan-1-ol?
The canonical SMILES for 4-(3-methylbut-2-enylamino)pentan-1-ol is CC(C)=CCNC(C)CCCO.
What is the InChIKey of 4-(3-methylbut-2-enylamino)pentan-1-ol?
The InChIKey is BFSDLAYRECGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-7-11-10(3)5-4-8-12/h6,10-12H,4-5,7-8H2,1-3H3.
What are the key properties of 4-(3-methylbut-2-enylamino)pentan-1-ol?
4-(3-methylbut-2-enylamino)pentan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enylamino)pentan-1-ol is sourced from PubChem (CID 103522661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).