(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine

C10H18N2 — CID 143603614

IUPAC(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine
SMILESC=C/C(=C/C(C)=C\NC)CNC
InChIInChI=1S/C10H18N2/c1-5-10(8-12-4)6-9(2)7-11-3/h5-7,11-12H,1,8H2,2-4H3/b9-7-,10-6-
InChIKeyBMFODDFXIKERFV-ZVEIMFCASA-N
MW166.27 g/mol
LogP1.44
Rot. Bonds5

About (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine

(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine (PubChem CID 143603614) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine
PubChem CID143603614
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine
SMILESC=C/C(=C/C(C)=C\NC)CNC
InChIInChI=1S/C10H18N2/c1-5-10(8-12-4)6-9(2)7-11-3/h5-7,11-12H,1,8H2,2-4H3/b9-7-,10-6-
InChIKeyBMFODDFXIKERFV-ZVEIMFCASA-N
XLogP1.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.44
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

ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
ethane;(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
CID 142154773
(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
CID 118687373
(E)-2-ethenyl-N-methyl-4-methyliminobut-2-en-1-amine
CID 130178000
2-N-[(2E,3E)-2-ethylidene-4-(methylaminomethyl)hexa-3,5-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
CID 143345944
molecular hydrogen;(1Z)-N,2,4-trimethylpenta-1,3-dien-1-amine
CID 176921885
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
N,4-dimethyl-2-methylidenepent-3-en-1-amine
CID 146927478
(E)-2-ethenyl-N-methyl-3-(methylideneamino)but-2-en-1-amine
CID 142162721
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
CID 143006742
(2Z)-3-chloro-2-ethenyl-N-methylpenta-2,4-dien-1-amine
CID 145065726

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine?
The IUPAC name of (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine (CID 143603614) is (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine.
What is the SMILES notation for (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine?
The canonical SMILES for (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine is C=C/C(=C/C(C)=C\NC)CNC.
What is the InChIKey of (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine?
The InChIKey is BMFODDFXIKERFV-ZVEIMFCASA-N. The full InChI is InChI=1S/C10H18N2/c1-5-10(8-12-4)6-9(2)7-11-3/h5-7,11-12H,1,8H2,2-4H3/b9-7-,10-6-.
What are the key properties of (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine?
(1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-4-ethenyl-N,N',2-trimethylpenta-1,3-diene-1,5-diamine is sourced from PubChem (CID 143603614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).