(2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine

C10H20N2 — CID 142236043

IUPAC(2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine
SMILESC=C(NC)/C(C)=C\C[C@@H](C)CN
InChIInChI=1S/C10H20N2/c1-8(7-11)5-6-9(2)10(3)12-4/h6,8,12H,3,5,7,11H2,1-2,4H3/b9-6-/t8-/m1/s1
InChIKeyQLRDBGUHIIKGEV-WSQKDGNHSA-N
MW168.28 g/mol
LogP1.65
Rot. Bonds5

About (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine

(2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine (PubChem CID 142236043) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine.

Molecular Properties

Compound Name(2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine
PubChem CID142236043
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine
SMILESC=C(NC)/C(C)=C\C[C@@H](C)CN
InChIInChI=1S/C10H20N2/c1-8(7-11)5-6-9(2)10(3)12-4/h6,8,12H,3,5,7,11H2,1-2,4H3/b9-6-/t8-/m1/s1
InChIKeyQLRDBGUHIIKGEV-WSQKDGNHSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.65
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

(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
CID 138525147
(4E,6E)-N,3,8-trimethyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527422
(4E,6E)-N,3,8-trimethyl-6-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527441
(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
CID 142326450
2-N-[2-fluoro-5-(methylaminomethyl)cyclohepta-1,3,5-trien-1-yl]-3-methyl-4-methylidenecyclobutene-1,2-diamine
CID 143343742
(E,2Z)-2-(1-fluoropropylidene)-5-methyl-4-(methylamino)hept-3-enenitrile
CID 146255221
(1E,3Z)-3-N-(3-aminopropyl)-6-methyl-2-(trifluoromethyl)octa-1,3,7-triene-1,3,7-triamine
CID 155306417
N-[(3,6-difluoro-5-methylcyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpent-1-en-2-amine
CID 156131249
(2E,4Z,6Z)-4-ethyl-8-fluoro-N,6-dimethylocta-2,4,6-trien-3-amine
CID 156423146
(3E,5Z)-3-fluoro-4-methyl-2-methylidene-N-pent-1-en-2-ylhepta-3,5-dien-1-amine
CID 167170063

Frequently Asked Questions

What is the IUPAC name of (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine?
The IUPAC name of (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine (CID 142236043) is (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine.
What is the SMILES notation for (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine?
The canonical SMILES for (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine is C=C(NC)/C(C)=C\C[C@@H](C)CN.
What is the InChIKey of (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine?
The InChIKey is QLRDBGUHIIKGEV-WSQKDGNHSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(7-11)5-6-9(2)10(3)12-4/h6,8,12H,3,5,7,11H2,1-2,4H3/b9-6-/t8-/m1/s1.
What are the key properties of (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine?
(2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-6-N,2,5-trimethylhepta-4,6-diene-1,6-diamine is sourced from PubChem (CID 142236043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).