3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine

C17H28N2O2 — CID 43830156

IUPAC3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine
SMILESC=C(C)CC(N)(c1cc(OC)ccc1OC)C(C)N(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)11-17(18,13(3)19(4)5)15-10-14(20-6)8-9-16(15)21-7/h8-10,13H,1,11,18H2,2-7H3
InChIKeyFVHKPQNSJVBXBJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.77
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine

3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine (PubChem CID 43830156) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine
PubChem CID43830156
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine
SMILESC=C(C)CC(N)(c1cc(OC)ccc1OC)C(C)N(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)11-17(18,13(3)19(4)5)15-10-14(20-6)8-9-16(15)21-7/h8-10,13H,1,11,18H2,2-7H3
InChIKeyFVHKPQNSJVBXBJ-UHFFFAOYSA-N
XLogP2.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxyphenyl)-2-N,2-N,4-trimethylpentane-2,3-diamine
CID 43830152
2-(2,5-dimethoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 43830167
2-(2,5-dimethoxyphenyl)-3-N,3-N-diethylpentane-2,3-diamine
CID 43830158
1-cyclopropyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 82239533
3-amino-2-(2,5-dimethoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 63083616
1-(2,5-dimethoxyphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839369
(3S)-3-(2,5-dimethoxyphenyl)-3-hydroxybutanoic acid
CID 36690985
2-(1-chloro-2-methylpropan-2-yl)-1,4-dimethoxybenzene
CID 82081447
methyl 3-(2,5-dimethoxyphenyl)-3-hydroxy-2-propan-2-ylbutanoate
CID 62395777
2-[acetyl(methyl)amino]-2-(2,5-dimethoxyphenyl)propanoic acid
CID 63703486
2-(2,5-dimethoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 60992136
1-(2,5-dimethoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 16642877

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine (CID 43830156) is 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine is C=C(C)CC(N)(c1cc(OC)ccc1OC)C(C)N(C)C.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine?
The InChIKey is FVHKPQNSJVBXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)11-17(18,13(3)19(4)5)15-10-14(20-6)8-9-16(15)21-7/h8-10,13H,1,11,18H2,2-7H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine?
3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-2-N,2-N,5-trimethylhex-5-ene-2,3-diamine is sourced from PubChem (CID 43830156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).