(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine

C11H20N2 — CID 100988531

IUPAC(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine
SMILESC=CCC(N)/C=C\C(N)CC(=C)C
InChIInChI=1S/C11H20N2/c1-4-5-10(12)6-7-11(13)8-9(2)3/h4,6-7,10-11H,1-2,5,8,12-13H2,3H3/b7-6-
InChIKeyQMEFCNUWNCICSW-SREVYHEPSA-N
MW180.29 g/mol
LogP1.74
Rot. Bonds6

About (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine

(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine (PubChem CID 100988531) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine.

Molecular Properties

Compound Name(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine
PubChem CID100988531
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine
SMILESC=CCC(N)/C=C\C(N)CC(=C)C
InChIInChI=1S/C11H20N2/c1-4-5-10(12)6-7-11(13)8-9(2)3/h4,6-7,10-11H,1-2,5,8,12-13H2,3H3/b7-6-
InChIKeyQMEFCNUWNCICSW-SREVYHEPSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-prop-2-enylhepta-1,5-diene
CID 23173905
6-methylideneoct-1-en-4-amine
CID 116660413
(3E,5S)-7-methyl-5-prop-2-enylocta-3,7-diene-1-thiol
CID 138486158
4-amino-2-methylhepta-1,6-dien-3-one
CID 116606914
(2S)-N'-ethyl-3-(2-methylprop-2-enyl)-2-prop-2-enylbutanediamide
CID 89200891
(2S)-2-aminopent-4-enal
CID 160694428
(5Z)-5-methylhepta-1,5-dien-4-amine
CID 143795621
N,4-dimethyl-2-prop-2-enylpent-4-enamide
CID 89102883
2,5-dimethylhex-5-en-3-amine
CID 79177176
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
2-methyl-3-methylidene-4-prop-2-enylhepta-1,6-diene
CID 162498864
(3R,4S)-2,3,4-trimethylhepta-1,6-diene
CID 144847395

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine?
The IUPAC name of (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine (CID 100988531) is (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine.
What is the SMILES notation for (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine?
The canonical SMILES for (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine is C=CCC(N)/C=C\C(N)CC(=C)C.
What is the InChIKey of (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine?
The InChIKey is QMEFCNUWNCICSW-SREVYHEPSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-10(12)6-7-11(13)8-9(2)3/h4,6-7,10-11H,1-2,5,8,12-13H2,3H3/b7-6-.
What are the key properties of (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine?
(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine has a molecular weight of 180.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyldeca-1,5,9-triene-4,7-diamine is sourced from PubChem (CID 100988531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).