6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol

C11H23NO — CID 171659799

IUPAC6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol
SMILESC=CC(O)CC(NC(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-10(13)7-11(8(2)3)12-9(4)5/h6,8-13H,1,7H2,2-5H3
InChIKeyZSGGQYHNJNUBRU-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds6

About 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol

6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol (PubChem CID 171659799) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol.

Molecular Properties

Compound Name6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol
PubChem CID171659799
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol
SMILESC=CC(O)CC(NC(C)C)C(C)C
InChIInChI=1S/C11H23NO/c1-6-10(13)7-11(8(2)3)12-9(4)5/h6,8-13H,1,7H2,2-5H3
InChIKeyZSGGQYHNJNUBRU-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
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

(4S)-4-amino-6-methylhept-1-en-3-ol
CID 14033272
5-(2-Methylpropylamino)pent-1-en-3-ol
CID 135019033
4-Amino-6-methylhept-1-en-3-ol
CID 14033271
4-Methyl-3-(3-methylbut-3-enylamino)pentan-1-ol
CID 104926876
(3S,4S)-2,6-dimethyl-4-(methylamino)hept-1-en-3-ol
CID 118053356
(3R,4S)-2,6-dimethyl-4-(methylamino)hept-1-en-3-ol
CID 118053375
2-Ethyl-3-(methylamino)hex-5-en-1-ol
CID 142059283
1-[6-(Methylamino)cyclohex-3-en-1-yl]ethanol
CID 143631192
5-(2-Methylbutan-2-ylamino)hept-1-en-3-ol
CID 146505716
(3S,4S)-4-methyl-7-(methylamino)hept-1-en-3-ol
CID 172612604
3-((2-Methylhex-5-en-3-yl)amino)propan-1-ol
CID 2772048
2-(Hept-1-en-4-ylamino)-3-methylbutan-1-ol
CID 4711935

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol?
The IUPAC name of 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol (CID 171659799) is 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol.
What is the SMILES notation for 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol?
The canonical SMILES for 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol is C=CC(O)CC(NC(C)C)C(C)C.
What is the InChIKey of 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol?
The InChIKey is ZSGGQYHNJNUBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(13)7-11(8(2)3)12-9(4)5/h6,8-13H,1,7H2,2-5H3.
What are the key properties of 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol?
6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(propan-2-ylamino)hept-1-en-3-ol is sourced from PubChem (CID 171659799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).