N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine

C14H26N2 — CID 142203771

IUPACN'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine
SMILESC=C/C=C\C(=C)C(C)CCN(C)CCCN
InChIInChI=1S/C14H26N2/c1-5-6-8-13(2)14(3)9-12-16(4)11-7-10-15/h5-6,8,14H,1-2,7,9-12,15H2,3-4H3/b8-6-
InChIKeyONEKQQJWPMFIMW-VURMDHGXSA-N
MW222.38 g/mol
LogP2.59
Rot. Bonds9

About N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine

N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine (PubChem CID 142203771) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine
PubChem CID142203771
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine
SMILESC=C/C=C\C(=C)C(C)CCN(C)CCCN
InChIInChI=1S/C14H26N2/c1-5-6-8-13(2)14(3)9-12-16(4)11-7-10-15/h5-6,8,14H,1-2,7,9-12,15H2,3-4H3/b8-6-
InChIKeyONEKQQJWPMFIMW-VURMDHGXSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 123382807
(Z)-4-[(Z)-3-fluoroprop-1-enyl]-N,3-dimethylhept-4-en-1-amine
CID 129210432
1-[4-[[Ethyl(methyl)amino]methyl]cyclohexa-1,5-dien-1-yl]-3-fluoropropan-2-amine
CID 129313214
N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
CID 137402236
(5Z)-N-ethyl-7-fluoro-3-methyl-4-methylideneocta-5,7-dien-1-amine
CID 142170706
(5Z)-7-fluoro-N,3-dimethyl-4-methylideneocta-5,7-dien-1-amine
CID 145335769
(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine
CID 144826856
1,3-Propanediamine, N'-[(3S)-3,7-dimethyl-6-octenyl]-N,N-dimethyl-
CID 2298843
3-(1-Methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine
CID 20758858
(2S)-N-[[4-(aminomethyl)cyclohexa-1,5-dien-1-yl]methyl]-2-methylhexan-1-amine
CID 70814736
(3E,5Z)-2-cyclohexa-1,5-dien-1-yl-N,3-dimethylhepta-3,5-dien-1-amine
CID 89029257

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine (CID 142203771) is N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine is C=C/C=C\C(=C)C(C)CCN(C)CCCN.
What is the InChIKey of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine?
The InChIKey is ONEKQQJWPMFIMW-VURMDHGXSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-6-8-13(2)14(3)9-12-16(4)11-7-10-15/h5-6,8,14H,1-2,7,9-12,15H2,3-4H3/b8-6-.
What are the key properties of N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine?
N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine has a molecular weight of 222.38 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(5Z)-3-methyl-4-methylideneocta-5,7-dienyl]propane-1,3-diamine is sourced from PubChem (CID 142203771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).