N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine

C11H21N3 — CID 143680758

IUPACN-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=N/C=C\C(=C)N(C)CCN(C)CC
InChIInChI=1S/C11H21N3/c1-6-13(4)9-10-14(5)11(2)7-8-12-3/h7-8H,2-3,6,9-10H2,1,4-5H3/b8-7-
InChIKeyLYLUIISMOIFHGE-FPLPWBNLSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds7

About N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine

N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine (PubChem CID 143680758) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
PubChem CID143680758
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=N/C=C\C(=C)N(C)CCN(C)CC
InChIInChI=1S/C11H21N3/c1-6-13(4)9-10-14(5)11(2)7-8-12-3/h7-8H,2-3,6,9-10H2,1,4-5H3/b8-7-
InChIKeyLYLUIISMOIFHGE-FPLPWBNLSA-N
XLogP1.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-2-amine
CID 91141901
N'-hexa-1,3,5-trien-2-yl-N,N,N'-trimethylethane-1,2-diamine
CID 91160948
Ethyl-methylidene-[2-(methylideneamino)hexa-2,4-dien-3-yl]azanium
CID 123356613
Trimethyl-[4-(methylideneamino)buta-1,3-dien-2-yl]azanium
CID 123820836
(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine
CID 126486729
(1Z,3E)-N,N-dimethyl-1-(methylideneamino)penta-1,3-dien-3-amine
CID 126536976
N-[(E)-but-2-en-2-yl]-N'-ethyl-N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 130195118
N-[(1Z)-1-(1-ethyl-2-pyridinylidene)ethyl]methanimine
CID 130412907
(2Z,4Z)-N-ethyl-N-methyl-5-(methylideneamino)penta-2,4-dien-2-amine
CID 134185502
(1Z)-N-methyl-1-(methylideneamino)-N-[(Z)-prop-1-enyl]buta-1,3-dien-2-amine
CID 134286364
N'-[(3Z)-hexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 141956997
(3Z)-N,N-dimethyl-4-(methylideneamino)buta-1,3-dien-2-amine;ethane
CID 141990725

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine (CID 143680758) is N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine is C=N/C=C\C(=C)N(C)CCN(C)CC.
What is the InChIKey of N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
The InChIKey is LYLUIISMOIFHGE-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H21N3/c1-6-13(4)9-10-14(5)11(2)7-8-12-3/h7-8H,2-3,6,9-10H2,1,4-5H3/b8-7-.
What are the key properties of N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-dimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 143680758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).