4-methyl-3-(prop-2-enylamino)pentan-1-ol

C9H19NO — CID 104696122

IUPAC4-methyl-3-(prop-2-enylamino)pentan-1-ol
SMILESC=CCNC(CCO)C(C)C
InChIInChI=1S/C9H19NO/c1-4-6-10-9(5-7-11)8(2)3/h4,8-11H,1,5-7H2,2-3H3
InChIKeyCTOOHMPEMJRNET-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds6

About 4-methyl-3-(prop-2-enylamino)pentan-1-ol

4-methyl-3-(prop-2-enylamino)pentan-1-ol (PubChem CID 104696122) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-3-(prop-2-enylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(prop-2-enylamino)pentan-1-ol
PubChem CID104696122
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-3-(prop-2-enylamino)pentan-1-ol
SMILESC=CCNC(CCO)C(C)C
InChIInChI=1S/C9H19NO/c1-4-6-10-9(5-7-11)8(2)3/h4,8-11H,1,5-7H2,2-3H3
InChIKeyCTOOHMPEMJRNET-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
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

(2S)-3-methyl-2-(prop-2-enylamino)butan-1-ol
CID 21636731
4-Methyl-4-(prop-2-enylamino)pentan-2-ol
CID 17940529
3-(Ethylamino)-4-methylpentan-1-ol
CID 64814074
4-Methyl-3-(propan-2-ylamino)pentan-1-ol
CID 86063163
3-(Prop-2-enylamino)pentane-1,5-diol
CID 87065137
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
Ethane;3-(ethylamino)-4-methylpentan-1-ol
CID 171660541
Ethane;4-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 171660809
3-(Prop-2-enylamino)pentane-1,5-diol;hydrochloride
CID 173234662
(2S,3S)-3-(ethenylamino)-2-methylpentan-1-ol
CID 174019074
3-((2-Methylhex-5-en-3-yl)amino)propan-1-ol
CID 2772048

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(prop-2-enylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(prop-2-enylamino)pentan-1-ol (CID 104696122) is 4-methyl-3-(prop-2-enylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(prop-2-enylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(prop-2-enylamino)pentan-1-ol is C=CCNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(prop-2-enylamino)pentan-1-ol?
The InChIKey is CTOOHMPEMJRNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-10-9(5-7-11)8(2)3/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of 4-methyl-3-(prop-2-enylamino)pentan-1-ol?
4-methyl-3-(prop-2-enylamino)pentan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(prop-2-enylamino)pentan-1-ol is sourced from PubChem (CID 104696122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).