2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol

C12H25NO — CID 4711935

IUPAC2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol
SMILESC=CCC(CCC)NC(CO)C(C)C
InChIInChI=1S/C12H25NO/c1-5-7-11(8-6-2)13-12(9-14)10(3)4/h5,10-14H,1,6-9H2,2-4H3
InChIKeyQGAIXVPEYHJAGY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.34
Rot. Bonds8

About 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol

2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol (PubChem CID 4711935) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol
PubChem CID4711935
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol
SMILESC=CCC(CCC)NC(CO)C(C)C
InChIInChI=1S/C12H25NO/c1-5-7-11(8-6-2)13-12(9-14)10(3)4/h5,10-14H,1,6-9H2,2-4H3
InChIKeyQGAIXVPEYHJAGY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
(s)-N-(10-undecenyl)leucinol
CID 129847194
1-[(2-Methylcyclohexyl)amino]hex-5-EN-2-OL
CID 86797547
3-Methyl-2-(1,1,1-trifluorooct-7-en-2-ylamino)butan-1-ol
CID 74955409
(2S)-3-methyl-2-(1,1,1-trifluorooct-7-en-2-ylamino)butan-1-ol
CID 87648418
2-(Undec-1-en-6-ylamino)ethanol
CID 24812845
3-Methyl-2-undec-10-enylamino-butan-1-ol
CID 129692135
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
(2S)-3-methyl-2-[[(2S)-1,1,1-trifluorooct-7-en-2-yl]amino]butan-1-ol
CID 44221331
(2S)-3-methyl-2-[[(2R)-1,1,1-trifluorooct-7-en-2-yl]amino]butan-1-ol
CID 44221332
3-Ethylamino-5-hexene-2-ol
CID 566897
(2S)-3-methyl-2-(prop-2-enylamino)butan-1-ol
CID 21636731

Frequently Asked Questions

What is the IUPAC name of 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol?
The IUPAC name of 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol (CID 4711935) is 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol is C=CCC(CCC)NC(CO)C(C)C.
What is the InChIKey of 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol?
The InChIKey is QGAIXVPEYHJAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-11(8-6-2)13-12(9-14)10(3)4/h5,10-14H,1,6-9H2,2-4H3.
What are the key properties of 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol?
2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hept-1-en-4-ylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 4711935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).