(Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine

C12H26N2 — CID 166907388

IUPAC(Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine
SMILESCNC(C)/C(C)=C(/C)C(C)(C)N(C)C
InChIInChI=1S/C12H26N2/c1-9(11(3)13-6)10(2)12(4,5)14(7)8/h11,13H,1-8H3/b10-9-
InChIKeyZHWVAGNCXKZPEX-KTKRTIGZSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds4

About (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine

(Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine (PubChem CID 166907388) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine.

Molecular Properties

Compound Name(Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine
PubChem CID166907388
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name(Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine
SMILESCNC(C)/C(C)=C(/C)C(C)(C)N(C)C
InChIInChI=1S/C12H26N2/c1-9(11(3)13-6)10(2)12(4,5)14(7)8/h11,13H,1-8H3/b10-9-
InChIKeyZHWVAGNCXKZPEX-KTKRTIGZSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 20656198
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(E)-2,3-dimethyl-4-(methylamino)pent-2-enamide
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3-(dimethylamino)-3-methylbutan-2-one
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N-methyl-2-(methylamino)-N-(2-methylbutan-2-yl)propanamide
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(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
CID 160564575
tert-butyl N-methyl-N-[2-(methylamino)propanoyl]carbamate
CID 58446238
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)propanamide
CID 79378283
3-methyl-3-[methyl-[1-(methylamino)-1-phosphanylbuta-2,3-dien-2-yl]amino]butan-2-one
CID 167147314
(2S)-3-imino-N-methylbutan-2-amine
CID 147887389
(3R)-3-(methylamino)but-1-en-2-ol
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3-(dimethylamino)-3-methylbutan-2-ol
CID 59861746

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine?
The IUPAC name of (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine (CID 166907388) is (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine.
What is the SMILES notation for (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine?
The canonical SMILES for (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine is CNC(C)/C(C)=C(/C)C(C)(C)N(C)C.
What is the InChIKey of (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine?
The InChIKey is ZHWVAGNCXKZPEX-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(11(3)13-6)10(2)12(4,5)14(7)8/h11,13H,1-8H3/b10-9-.
What are the key properties of (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine?
(Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N,2-N,5-N,2,3,4-hexamethylhex-3-ene-2,5-diamine is sourced from PubChem (CID 166907388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).