N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine

C19H30N2 — CID 145107088

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine
SMILESC=C/C=C(\C=C)CN(CC)CN(CC)CC1=CCCC=C1
InChIInChI=1S/C19H30N2/c1-5-12-18(6-2)15-20(7-3)17-21(8-4)16-19-13-10-9-11-14-19/h5-6,10,12-14H,1-2,7-9,11,15-17H2,3-4H3/b18-12+
InChIKeyNOOFOHXVGVQDKR-LDADJPATSA-N
MW286.46 g/mol
LogP4.16
Rot. Bonds10

About N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine

N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine (PubChem CID 145107088) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine
PubChem CID145107088
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine
SMILESC=C/C=C(\C=C)CN(CC)CN(CC)CC1=CCCC=C1
InChIInChI=1S/C19H30N2/c1-5-12-18(6-2)15-20(7-3)17-21(8-4)16-19-13-10-9-11-14-19/h5-6,10,12-14H,1-2,7-9,11,15-17H2,3-4H3/b18-12+
InChIKeyNOOFOHXVGVQDKR-LDADJPATSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-N',N'-diethyl-N,N-dimethylmethanediamine
CID 13484281
E-1-Dimethylamino-N,N-Diethylgeranylamin
CID 129890807
magnesium;N,N,N',N'-tetramethyl-1-phenylmethanediamine;chloride
CID 11736521
magnesium;N,N,N',N'-tetramethyl-1-phenylmethanediamine;bromide
CID 21696429
[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
Dibutyl-(cyclohexa-1,5-dien-1-ylmethyl)-propylazanium
CID 70905170
1,3-dimethyl-2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-4,5-dihydro-2H-benzimidazole
CID 88892156
Cyclohexa-1,5-dien-1-ylmethyl(triethyl)azanium
CID 89087430
N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine
CID 90796897
N,N,N'-trimethyl-N'-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
CID 122468443
3-ethylidene-N,N,1,5-tetramethyl-2,6-dihydropyridin-2-amine
CID 123291241
1,8-Dimethyl-2,3,7,8a-tetrahydro-1,8-naphthyridine
CID 123778151

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine (CID 145107088) is N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine is C=C/C=C(\C=C)CN(CC)CN(CC)CC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine?
The InChIKey is NOOFOHXVGVQDKR-LDADJPATSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-12-18(6-2)15-20(7-3)17-21(8-4)16-19-13-10-9-11-14-19/h5-6,10,12-14H,1-2,7-9,11,15-17H2,3-4H3/b18-12+.
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine?
N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine has a molecular weight of 286.46 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)-N'-[(2E)-2-ethenylpenta-2,4-dienyl]-N,N'-diethylmethanediamine is sourced from PubChem (CID 145107088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).