5-(methylamino)pent-1-en-2-ol

C6H13NO — CID 87796039

IUPAC5-(methylamino)pent-1-en-2-ol
SMILESC=C(O)CCCNC
InChIInChI=1S/C6H13NO/c1-6(8)4-3-5-7-2/h7-8H,1,3-5H2,2H3
InChIKeyGXLGSBGIQKOFAY-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.06
Rot. Bonds4

About 5-(methylamino)pent-1-en-2-ol

5-(methylamino)pent-1-en-2-ol (PubChem CID 87796039) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 5-(methylamino)pent-1-en-2-ol.

Molecular Properties

Compound Name5-(methylamino)pent-1-en-2-ol
PubChem CID87796039
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name5-(methylamino)pent-1-en-2-ol
SMILESC=C(O)CCCNC
InChIInChI=1S/C6H13NO/c1-6(8)4-3-5-7-2/h7-8H,1,3-5H2,2H3
InChIKeyGXLGSBGIQKOFAY-UHFFFAOYSA-N
XLogP1.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(methylamino)pent-1-en-2-ol
CID 19939988
4-(Ethylamino)but-1-en-2-ol
CID 21458375
5-Aminopent-1-en-2-ol
CID 55285358
1-(Methylamino)pent-1-en-2-ol
CID 73668526
4-(Methylamino)but-1-en-2-ol
CID 87795969
5-(Dimethylamino)pent-1-en-2-ol
CID 142531471
5-(Ethylamino)-3-methylpent-1-en-2-ol
CID 144765302
4-(Methylamino)pent-1-en-2-ol
CID 152937523
1,2,3,4-Tetrahydropyridin-5-ol
CID 154547342
4-methoxy-N-methylpent-4-en-1-amine
CID 155570140
5-(3-Methylbutylamino)pent-1-en-2-ol
CID 156480566

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)pent-1-en-2-ol?
The IUPAC name of 5-(methylamino)pent-1-en-2-ol (CID 87796039) is 5-(methylamino)pent-1-en-2-ol.
What is the SMILES notation for 5-(methylamino)pent-1-en-2-ol?
The canonical SMILES for 5-(methylamino)pent-1-en-2-ol is C=C(O)CCCNC.
What is the InChIKey of 5-(methylamino)pent-1-en-2-ol?
The InChIKey is GXLGSBGIQKOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(8)4-3-5-7-2/h7-8H,1,3-5H2,2H3.
What are the key properties of 5-(methylamino)pent-1-en-2-ol?
5-(methylamino)pent-1-en-2-ol has a molecular weight of 115.18 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pent-1-en-2-ol is sourced from PubChem (CID 87796039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).