N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine

C10H20N2 — CID 143508442

IUPACN-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
SMILESC/C=C\C=C(/C)CNCCNC
InChIInChI=1S/C10H20N2/c1-4-5-6-10(2)9-12-8-7-11-3/h4-6,11-12H,7-9H2,1-3H3/b5-4-,10-6+
InChIKeyVWUWQGZFIGICCC-VWJYOPCBSA-N
MW168.28 g/mol
LogP1.32
Rot. Bonds6

About N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine

N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine (PubChem CID 143508442) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
PubChem CID143508442
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
SMILESC/C=C\C=C(/C)CNCCNC
InChIInChI=1S/C10H20N2/c1-4-5-6-10(2)9-12-8-7-11-3/h4-6,11-12H,7-9H2,1-3H3/b5-4-,10-6+
InChIKeyVWUWQGZFIGICCC-VWJYOPCBSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-[(E)-2-methylbut-2-enyl]propane-1,3-diamine
CID 135177358
(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine
CID 145212065
[2-(methylamino)ethylamino]methanol
CID 58963756
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
CID 145042717
[(2Z,4Z)-2-methylhexa-2,4-dienyl] formate
CID 145290933
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
(2E,4E)-N,N'-bis(3-amino-3-methylbutyl)-2,5-dimethylhexa-2,4-diene-1,6-diamine
CID 143942317
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
CID 142114601

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine (CID 143508442) is N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine is C/C=C\C=C(/C)CNCCNC.
What is the InChIKey of N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine?
The InChIKey is VWUWQGZFIGICCC-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-6-10(2)9-12-8-7-11-3/h4-6,11-12H,7-9H2,1-3H3/b5-4-,10-6+.
What are the key properties of N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine?
N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine is sourced from PubChem (CID 143508442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).