(E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine

C10H23N3 — CID 154560398

IUPAC(E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine
SMILESCNC(/C(N)=C(\N)C(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-6(2)8(11)9(12)10(13-5)7(3)4/h6-7,10,13H,11-12H2,1-5H3/b9-8+
InChIKeyIBPQFAULKBBUAH-CMDGGOBGSA-N
MW185.31 g/mol
LogP1.02
Rot. Bonds4

About (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine

(E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine (PubChem CID 154560398) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine.

Molecular Properties

Compound Name(E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine
PubChem CID154560398
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name(E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine
SMILESCNC(/C(N)=C(\N)C(C)C)C(C)C
InChIInChI=1S/C10H23N3/c1-6(2)8(11)9(12)10(13-5)7(3)4/h6-7,10,13H,11-12H2,1-5H3/b9-8+
InChIKeyIBPQFAULKBBUAH-CMDGGOBGSA-N
XLogP1.02
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-2-(methylamino)butanoic acid
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methane;4-methyl-3-(methylamino)pentan-2-one
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ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
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tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
(Z)-2-hydrazinyl-4-methylpent-2-en-3-amine
CID 135233991
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729
(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide
CID 90782282
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
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CID 154976995

Frequently Asked Questions

What is the IUPAC name of (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine?
The IUPAC name of (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine (CID 154560398) is (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine.
What is the SMILES notation for (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine?
The canonical SMILES for (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine is CNC(/C(N)=C(\N)C(C)C)C(C)C.
What is the InChIKey of (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine?
The InChIKey is IBPQFAULKBBUAH-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H23N3/c1-6(2)8(11)9(12)10(13-5)7(3)4/h6-7,10,13H,11-12H2,1-5H3/b9-8+.
What are the key properties of (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine?
(E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine has a molecular weight of 185.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine is sourced from PubChem (CID 154560398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).