N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine

C14H28N4 — CID 176675649

IUPACN',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine
SMILESCCCN(C)CC(C)C(=CN)/C=N/C1CN(C)C1
InChIInChI=1S/C14H28N4/c1-5-6-17(3)9-12(2)13(7-15)8-16-14-10-18(4)11-14/h7-8,12,14H,5-6,9-11,15H2,1-4H3/b13-7?,16-8+
InChIKeyQQIKXKMEURVSPH-GVTZZKNWSA-N
MW252.41 g/mol
LogP1.19
Rot. Bonds7

About N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine

N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine (PubChem CID 176675649) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine.

Molecular Properties

Compound NameN',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine
PubChem CID176675649
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine
SMILESCCCN(C)CC(C)C(=CN)/C=N/C1CN(C)C1
InChIInChI=1S/C14H28N4/c1-5-6-17(3)9-12(2)13(7-15)8-16-14-10-18(4)11-14/h7-8,12,14H,5-6,9-11,15H2,1-4H3/b13-7?,16-8+
InChIKeyQQIKXKMEURVSPH-GVTZZKNWSA-N
XLogP1.19
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(Azetidin-3-yl)-3-methyliminoprop-1-enyl]-methyl-methylideneazanium
CID 90770131
(Z)-4-(3-methylazetidin-1-yl)-2-(methyliminomethyl)but-1-en-1-amine
CID 154966910
(Z)-3-methyl-2-[(1-methylpyrrolidin-3-yl)iminomethyl]but-1-en-1-amine
CID 164585945
[(Z)-2-methanimidoyl-3-methyl-4-[methyl(propyl)amino]but-1-enyl]-(1-methylazetidin-3-yl)azanium
CID 176675648

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine?
The IUPAC name of N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine (CID 176675649) is N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine.
What is the SMILES notation for N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine?
The canonical SMILES for N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine is CCCN(C)CC(C)C(=CN)/C=N/C1CN(C)C1.
What is the InChIKey of N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine?
The InChIKey is QQIKXKMEURVSPH-GVTZZKNWSA-N. The full InChI is InChI=1S/C14H28N4/c1-5-6-17(3)9-12(2)13(7-15)8-16-14-10-18(4)11-14/h7-8,12,14H,5-6,9-11,15H2,1-4H3/b13-7?,16-8+.
What are the key properties of N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine?
N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-2-[(1-methylazetidin-3-yl)iminomethyl]-N'-propylbut-1-ene-1,4-diamine is sourced from PubChem (CID 176675649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).