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

C11H22N2 — CID 88945052

IUPACN',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine
SMILESC/C=C(C)\C=C/CNCCN(C)C
InChIInChI=1S/C11H22N2/c1-5-11(2)7-6-8-12-9-10-13(3)4/h5-7,12H,8-10H2,1-4H3/b7-6-,11-5-
InChIKeyUZEKKSAQQMXFSU-PDDHADQFSA-N
MW182.31 g/mol
LogP1.66
Rot. Bonds6

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

N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine (PubChem CID 88945052) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine
PubChem CID88945052
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine
SMILESC/C=C(C)\C=C/CNCCN(C)C
InChIInChI=1S/C11H22N2/c1-5-11(2)7-6-8-12-9-10-13(3)4/h5-7,12H,8-10H2,1-4H3/b7-6-,11-5-
InChIKeyUZEKKSAQQMXFSU-PDDHADQFSA-N
XLogP1.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine (CID 88945052) is N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine is C/C=C(C)\C=C/CNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine?
The InChIKey is UZEKKSAQQMXFSU-PDDHADQFSA-N. The full InChI is InChI=1S/C11H22N2/c1-5-11(2)7-6-8-12-9-10-13(3)4/h5-7,12H,8-10H2,1-4H3/b7-6-,11-5-.
What are the key properties of N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine is sourced from PubChem (CID 88945052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).