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

C10H19N3 — CID 143115341

IUPACN,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=N/C=C\C(=C)N(C)CCN(C)C
InChIInChI=1S/C10H19N3/c1-10(6-7-11-2)13(5)9-8-12(3)4/h6-7H,1-2,8-9H2,3-5H3/b7-6-
InChIKeyDIPCTRWSKGUXCP-SREVYHEPSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds6

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

N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine (PubChem CID 143115341) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
PubChem CID143115341
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=N/C=C\C(=C)N(C)CCN(C)C
InChIInChI=1S/C10H19N3/c1-10(6-7-11-2)13(5)9-8-12(3)4/h6-7H,1-2,8-9H2,3-5H3/b7-6-
InChIKeyDIPCTRWSKGUXCP-SREVYHEPSA-N
XLogP1.21
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.21
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,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine (CID 143115341) is N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-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)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
The InChIKey is DIPCTRWSKGUXCP-SREVYHEPSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(6-7-11-2)13(5)9-8-12(3)4/h6-7H,1-2,8-9H2,3-5H3/b7-6-.
What are the key properties of N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[(3Z)-4-(methylideneamino)buta-1,3-dien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 143115341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).