1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene

C18H39NO — CID 145466255

IUPAC1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene
SMILESC=C(C)CC(CC)CC.CCNCCC(O)CC(C)C
InChIInChI=1S/C9H21NO.C9H18/c1-4-10-6-5-9(11)7-8(2)3;1-5-9(6-2)7-8(3)4/h8-11H,4-7H2,1-3H3;9H,3,5-7H2,1-2,4H3
InChIKeyPPFITVDZSQMLTH-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.78
Rot. Bonds10

About 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene

1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene (PubChem CID 145466255) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene.

Molecular Properties

Compound Name1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene
PubChem CID145466255
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene
SMILESC=C(C)CC(CC)CC.CCNCCC(O)CC(C)C
InChIInChI=1S/C9H21NO.C9H18/c1-4-10-6-5-9(11)7-8(2)3;1-5-9(6-2)7-8(3)4/h8-11H,4-7H2,1-3H3;9H,3,5-7H2,1-2,4H3
InChIKeyPPFITVDZSQMLTH-UHFFFAOYSA-N
XLogP4.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-amino-4-ethyl-5-methylhex-5-en-3-ol
CID 146552954
5-[Methyl-[6-[5-[3-methylidenehexyl(4-methylpentyl)amino]pent-1-en-2-ylamino]hexyl]amino]hex-5-en-3-ol
CID 156424724
10-(2,2-Dimethylpropylamino)-4,7,11-trimethyldodeca-6,10-dien-3-ol
CID 173597049
2-(Butylaminomethyl)-4-methylpent-1-en-3-ol
CID 10241522
(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol
CID 11564486
(3S,4S)-3-prop-1-en-2-ylpiperidin-4-ol
CID 11629623
(2S,4S,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11701078
(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11708092
(3R,4R)-3-prop-1-en-2-ylpiperidin-4-ol
CID 29932387
(3S,4R)-3-prop-1-en-2-ylpiperidin-4-ol
CID 29932390
3-Prop-1-en-2-ylpiperidin-4-ol
CID 45358270
2-[(2-Methylidenebutylamino)methyl]cyclopentan-1-ol
CID 66046902

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene?
The IUPAC name of 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene (CID 145466255) is 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene.
What is the SMILES notation for 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene?
The canonical SMILES for 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene is C=C(C)CC(CC)CC.CCNCCC(O)CC(C)C.
What is the InChIKey of 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene?
The InChIKey is PPFITVDZSQMLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO.C9H18/c1-4-10-6-5-9(11)7-8(2)3;1-5-9(6-2)7-8(3)4/h8-11H,4-7H2,1-3H3;9H,3,5-7H2,1-2,4H3.
What are the key properties of 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene?
1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene has a molecular weight of 285.52 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene is sourced from PubChem (CID 145466255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).