(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine

C15H26N4 — CID 167486384

IUPAC(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine
SMILESC/C=N/C(=C\CC)CC1CN(C(/C=C(/C)N)=N\C)C1
InChIInChI=1S/C15H26N4/c1-5-7-14(18-6-2)9-13-10-19(11-13)15(17-4)8-12(3)16/h6-8,13H,5,9-11,16H2,1-4H3/b12-8-,14-7-,17-15-,18-6+
InChIKeyWGZRQQPIMFKEEY-ADZFSHKWSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds5

About (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine

(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine (PubChem CID 167486384) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine
PubChem CID167486384
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine
SMILESC/C=N/C(=C\CC)CC1CN(C(/C=C(/C)N)=N\C)C1
InChIInChI=1S/C15H26N4/c1-5-7-14(18-6-2)9-13-10-19(11-13)15(17-4)8-12(3)16/h6-8,13H,5,9-11,16H2,1-4H3/b12-8-,14-7-,17-15-,18-6+
InChIKeyWGZRQQPIMFKEEY-ADZFSHKWSA-N
XLogP2.58
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hept-3-en-4-ylethanimine
CID 123818491
ethane;N-[(4Z)-2-methylhepta-1,4-dien-4-yl]ethanimine
CID 143978503
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
(2Z)-2-(ethylideneamino)-4-methylpenta-2,4-dien-1-amine
CID 142082963
(E)-3-amino-N-[(E)-1-aminobut-1-enyl]but-2-enimidoyl chloride
CID 161213899
4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 54304139
1-pent-2-en-3-ylazetidin-3-amine
CID 123700595
(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide
CID 139324562
1-(3-amino-5-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 79992618
(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one
CID 82234988
1-[N-[(1Z,3Z)-3-aminohexa-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-3-ol
CID 156802218
2-(ethylideneamino)-3-methyl-1-[(3R)-3-propylpyrrolidin-1-yl]but-2-ene-1-thione
CID 143062319

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine?
The IUPAC name of (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine (CID 167486384) is (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine?
The canonical SMILES for (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine is C/C=N/C(=C\CC)CC1CN(C(/C=C(/C)N)=N\C)C1.
What is the InChIKey of (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine?
The InChIKey is WGZRQQPIMFKEEY-ADZFSHKWSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-7-14(18-6-2)9-13-10-19(11-13)15(17-4)8-12(3)16/h6-8,13H,5,9-11,16H2,1-4H3/b12-8-,14-7-,17-15-,18-6+.
What are the key properties of (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine?
(Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-[(Z)-2-(ethylideneamino)pent-2-enyl]azetidin-1-yl]-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 167486384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).