N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine

C14H27N5 — CID 176993407

IUPACN-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine
SMILESC=N/C(C)=C\C(=N/CCNCCNC)N1CCCC1
InChIInChI=1S/C14H27N5/c1-13(16-3)12-14(19-10-4-5-11-19)18-9-8-17-7-6-15-2/h12,15,17H,3-11H2,1-2H3/b13-12-,18-14+
InChIKeyAITLPPKJFJINGA-BFJFDWDHSA-N
MW265.40 g/mol
LogP0.89
Rot. Bonds8

About N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine

N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine (PubChem CID 176993407) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine
PubChem CID176993407
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine
SMILESC=N/C(C)=C\C(=N/CCNCCNC)N1CCCC1
InChIInChI=1S/C14H27N5/c1-13(16-3)12-14(19-10-4-5-11-19)18-9-8-17-7-6-15-2/h12,15,17H,3-11H2,1-2H3/b13-12-,18-14+
InChIKeyAITLPPKJFJINGA-BFJFDWDHSA-N
XLogP0.89
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(N-methyl-C-prop-1-enylcarbonimidoyl)pyrrolidin-3-amine
CID 123237192
N-methyl-N-[2-(methylamino)ethyl]-N'-[(E)-(1-methyl-4H-imidazol-5-ylidene)methyl]ethanimidamide
CID 134268440
N,7-dimethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-imine
CID 136507225
ethane;N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
CID 143653041
(E)-4-ethynylimino-4-pyrrolidin-1-ylbut-2-ene-1,2-diamine
CID 163522050
2-[Ethanimidoyl(ethyl)amino]ethyl-pyrrol-1-ium-3-ylazanium
CID 163848951
(3S)-N-methyl-1-[N-methyl-C-[3-methyl-2-(methylamino)but-1-enyl]carbonimidoyl]pyrrolidin-3-amine
CID 173510970
6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-2-one
CID 83864248
6-(methylaminomethyl)-4-pyrrolidin-1-yl-1H-pyrimidine-2-thione
CID 83872038
N-methyl-N'-[1-(1-methyl-4,5-dihydroimidazol-2-yl)prop-1-en-2-yl]ethane-1,2-diamine
CID 102409585
N-prop-1-en-2-yl-N'-(2-pyrrolidin-1-ylethyl)methanimidamide
CID 143653042
(5Z)-N-[(E)-but-1-enyl]-5-(1-pyrrolidin-1-ylethylidene)-1H-imidazol-4-imine
CID 143922995

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine (CID 176993407) is N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine is C=N/C(C)=C\C(=N/CCNCCNC)N1CCCC1.
What is the InChIKey of N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine?
The InChIKey is AITLPPKJFJINGA-BFJFDWDHSA-N. The full InChI is InChI=1S/C14H27N5/c1-13(16-3)12-14(19-10-4-5-11-19)18-9-8-17-7-6-15-2/h12,15,17H,3-11H2,1-2H3/b13-12-,18-14+.
What are the key properties of N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine?
N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-[[(Z)-3-(methylideneamino)-1-pyrrolidin-1-ylbut-2-enylidene]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 176993407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).