2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol

C12H25NO — CID 177180641

IUPAC2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
SMILESC=C(NCCC)C(C)(C)CC(C)CO
InChIInChI=1S/C12H25NO/c1-6-7-13-11(3)12(4,5)8-10(2)9-14/h10,13-14H,3,6-9H2,1-2,4-5H3
InChIKeyNJHOAESXESNLOB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds7

About 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol

2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol (PubChem CID 177180641) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
PubChem CID177180641
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
SMILESC=C(NCCC)C(C)(C)CC(C)CO
InChIInChI=1S/C12H25NO/c1-6-7-13-11(3)12(4,5)8-10(2)9-14/h10,13-14H,3,6-9H2,1-2,4-5H3
InChIKeyNJHOAESXESNLOB-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

O-[5-(3,3-dimethylbutylamino)hex-5-enyl]hydroxylamine
CID 134403239
(2S)-4-[[(5-amino-3,3,5-trimethylhex-1-en-2-yl)amino]methyl]-2-methylhex-5-en-1-ol
CID 146359257
3-Methyl-6-(methylamino)hept-6-en-2-ol
CID 166966011
5-(4,4,6,6,8,8-Hexamethylnon-1-en-2-ylamino)-2,2,4,4-tetramethylpentan-1-ol
CID 167513339
Ethane;2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol
CID 177180640
5-(Hex-5-en-2-ylamino)-4,4-dimethylpentan-1-ol
CID 104583089
5-(Hex-5-en-2-ylamino)-2-methylpentan-1-ol
CID 104583619
5-(But-3-enylamino)-4,4-dimethylpentan-1-ol
CID 106146996
5-(Hept-6-enylamino)-4,4-dimethylpentan-1-ol
CID 106147034
4,4-Dimethyl-5-(3-methylbut-3-enylamino)pentan-1-ol
CID 106147135
4,4-Dimethyl-5-(pent-4-enylamino)pentan-1-ol
CID 106147227
2-Methyl-5-(pent-4-enylamino)pentan-1-ol
CID 106160269

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol?
The IUPAC name of 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol (CID 177180641) is 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol?
The canonical SMILES for 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol is C=C(NCCC)C(C)(C)CC(C)CO.
What is the InChIKey of 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol?
The InChIKey is NJHOAESXESNLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-7-13-11(3)12(4,5)8-10(2)9-14/h10,13-14H,3,6-9H2,1-2,4-5H3.
What are the key properties of 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol?
2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-5-(propylamino)hex-5-en-1-ol is sourced from PubChem (CID 177180641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).