(1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine

C10H20N2 — CID 146392524

IUPAC(1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine
SMILESCCC(C)/C(N)=C(C)/C=C\NC
InChIInChI=1S/C10H20N2/c1-5-8(2)10(11)9(3)6-7-12-4/h6-8,12H,5,11H2,1-4H3/b7-6-,10-9-
InChIKeyJTKKBFUINKDFLZ-HZJYTTRNSA-N
MW168.28 g/mol
LogP2.00
Rot. Bonds4

About (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine

(1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine (PubChem CID 146392524) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine
PubChem CID146392524
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine
SMILESCCC(C)/C(N)=C(C)/C=C\NC
InChIInChI=1S/C10H20N2/c1-5-8(2)10(11)9(3)6-7-12-4/h6-8,12H,5,11H2,1-4H3/b7-6-,10-9-
InChIKeyJTKKBFUINKDFLZ-HZJYTTRNSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
(1Z,3Z)-N-(3-fluoro-4-methylpenta-1,4-dien-2-yl)-2-propan-2-ylpenta-1,3-dien-1-amine
CID 173982628
(2E,4E)-4-fluoro-N-methyl-5-propan-2-ylhepta-2,4,6-trien-2-amine
CID 176934801
2-methylidene-5-propan-2-yl-1H-pyridine
CID 21050415
3,4-Di(propan-2-yl)-1,2-dihydropyridine
CID 23393312
1-(2-methylpropyl)-2H-2-benzazepine
CID 57305490
(1E)-N-[(3E)-hexa-1,3,5-trien-3-yl]-4-methylhexa-1,5-dien-1-amine
CID 58121867
2-methylidene-3,4-di(propan-2-yl)-1H-pyridine
CID 60125641
4-methylidene-2,3-di(propan-2-yl)-1H-pyridine
CID 60125671
Isobutylidene-4-aminomethylpyridine
CID 70542795
(1E,3Z)-3-ethenylhepta-1,3-diene-1,4-diamine
CID 88243122
(E)-4-N-ethenyl-3-methylpent-3-ene-1,4-diamine
CID 88543575

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine?
The IUPAC name of (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine (CID 146392524) is (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine?
The canonical SMILES for (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine is CCC(C)/C(N)=C(C)/C=C\NC.
What is the InChIKey of (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine?
The InChIKey is JTKKBFUINKDFLZ-HZJYTTRNSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-8(2)10(11)9(3)6-7-12-4/h6-8,12H,5,11H2,1-4H3/b7-6-,10-9-.
What are the key properties of (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine?
(1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N,3,5-trimethylhepta-1,3-diene-1,4-diamine is sourced from PubChem (CID 146392524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).