N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine

C10H18N2 — CID 123635406

IUPACN-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
SMILESC=C(C)/C=C\C(C)=N\CCNC
InChIInChI=1S/C10H18N2/c1-9(2)5-6-10(3)12-8-7-11-4/h5-6,11H,1,7-8H2,2-4H3/b6-5-,12-10+
InChIKeySVUCENMWEXAZCZ-UDMPHVCXSA-N
MW166.27 g/mol
LogP1.80
Rot. Bonds5

About N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine

N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine (PubChem CID 123635406) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
PubChem CID123635406
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
SMILESC=C(C)/C=C\C(C)=N\CCNC
InChIInChI=1S/C10H18N2/c1-9(2)5-6-10(3)12-8-7-11-4/h5-6,11H,1,7-8H2,2-4H3/b6-5-,12-10+
InChIKeySVUCENMWEXAZCZ-UDMPHVCXSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-10-methyliminoundeca-2,4,6,8-tetraen-2-amine
CID 53962751
(4-Methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium
CID 59057511
N,4-dimethyl-6-methyliminohepta-2,4-dien-2-amine
CID 59886162
Methyl-[4-methyl-6-(methylamino)hepta-3,5-dien-2-ylidene]azanium
CID 59957987
N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine
CID 123209322
N-methyl-1-[[(2Z,5Z)-octa-2,5,7-trien-4-ylidene]amino]ethane-1,2-diamine
CID 123475839
N-methyl-2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 123985656
(2E,4Z)-6-imino-2-methyl-N,N'-dipropylhepta-2,4-diene-1,7-diamine
CID 124112563
(2Z,4E)-5-(butan-2-ylideneamino)-N,4-dimethylhepta-2,4,6-trien-1-amine
CID 129084958
(E)-5-propan-2-ylimino-3-[(E)-prop-1-enyl]hex-3-en-2-amine
CID 138702940
(10Z,12E)-7,13-dimethyl-1,4,7-triazacyclotetradeca-10,12-dien-9-imine
CID 141878696
(3Z)-N-ethyl-2-methyliminohexa-3,5-dien-1-amine
CID 142057474

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
The IUPAC name of N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine (CID 123635406) is N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine.
What is the SMILES notation for N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
The canonical SMILES for N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine is C=C(C)/C=C\C(C)=N\CCNC.
What is the InChIKey of N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
The InChIKey is SVUCENMWEXAZCZ-UDMPHVCXSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)5-6-10(3)12-8-7-11-4/h5-6,11H,1,7-8H2,2-4H3/b6-5-,12-10+.
What are the key properties of N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine?
N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine has a molecular weight of 166.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine is sourced from PubChem (CID 123635406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).