(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine

C9H17N3 — CID 129204127

IUPAC(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine
SMILESC=CC(CC)=N/C(N)=C(\C)NC
InChIInChI=1S/C9H17N3/c1-5-8(6-2)12-9(10)7(3)11-4/h5,11H,1,6,10H2,2-4H3/b9-7+,12-8?
InChIKeySAIHDVBIOORUEU-FIMQDFCFSA-N
MW167.26 g/mol
LogP1.39
Rot. Bonds4

About (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine

(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine (PubChem CID 129204127) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine
PubChem CID129204127
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine
SMILESC=CC(CC)=N/C(N)=C(\C)NC
InChIInChI=1S/C9H17N3/c1-5-8(6-2)12-9(10)7(3)11-4/h5,11H,1,6,10H2,2-4H3/b9-7+,12-8?
InChIKeySAIHDVBIOORUEU-FIMQDFCFSA-N
XLogP1.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine
CID 170087615
ethane;N-ethenylpent-1-en-3-imine
CID 143591103
N,N-dimethylmethanamine;N-pent-1-en-3-ylidenehydroxylamine;silane
CID 174664874
(4E)-2-N-methylhepta-2,4-diene-2,5-diamine
CID 174083742
(Z)-3-N-methylbut-2-ene-2,3-diamine
CID 58557481
(2Z)-N,3-dimethyl-4-methylidenehexa-2,5-dien-2-amine
CID 163753108
ethane;(Z)-4-ethenyl-5-N-methylhex-4-ene-1,5-diamine
CID 143945003
ethenyl N-(methylcarbamoyloxy)propanimidothioate
CID 173461502
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
(3E,5Z)-N,6-dimethylocta-1,3,5-trien-3-amine
CID 155329914
ethane;(Z)-[(4Z)-hepta-4,6-dien-3-ylidene]hydrazine
CID 165132847
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401

Frequently Asked Questions

What is the IUPAC name of (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine (CID 129204127) is (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine is C=CC(CC)=N/C(N)=C(\C)NC.
What is the InChIKey of (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine?
The InChIKey is SAIHDVBIOORUEU-FIMQDFCFSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-8(6-2)12-9(10)7(3)11-4/h5,11H,1,6,10H2,2-4H3/b9-7+,12-8?.
What are the key properties of (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine?
(E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-methyl-1-(pent-1-en-3-ylideneamino)prop-1-ene-1,2-diamine is sourced from PubChem (CID 129204127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).