N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine

C14H26N2 — CID 71063508

IUPACN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCC1=CCCC=C1
InChIInChI=1S/C14H26N2/c1-15-11-7-2-3-8-12-16-13-14-9-5-4-6-10-14/h5,9-10,15-16H,2-4,6-8,11-13H2,1H3
InChIKeyXASNYKXYYBRQHN-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.63
Rot. Bonds9

About N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine

N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine (PubChem CID 71063508) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
PubChem CID71063508
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine
SMILESCNCCCCCCNCC1=CCCC=C1
InChIInChI=1S/C14H26N2/c1-15-11-7-2-3-8-12-16-13-14-9-5-4-6-10-14/h5,9-10,15-16H,2-4,6-8,11-13H2,1H3
InChIKeyXASNYKXYYBRQHN-UHFFFAOYSA-N
XLogP2.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine;trihydrochloride
CID 45265695
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(4E,8E,16E)-N-(6-aminohexyl)-N',4,8,13,17-pentamethylicosa-4,8,12,16-tetraene-1,20-diamine
CID 44363314
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
N'-[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]pentane-1,5-diamine
CID 156010185
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
The IUPAC name of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine (CID 71063508) is N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine.
What is the SMILES notation for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
The canonical SMILES for N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine is CNCCCCCCNCC1=CCCC=C1.
What is the InChIKey of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
The InChIKey is XASNYKXYYBRQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-15-11-7-2-3-8-12-16-13-14-9-5-4-6-10-14/h5,9-10,15-16H,2-4,6-8,11-13H2,1H3.
What are the key properties of N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine?
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylhexane-1,6-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 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-methylhexane-1,6-diamine is sourced from PubChem (CID 71063508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).