1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine

C14H22N4 — CID 123860955

IUPAC1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine
SMILESC=C(N(C)CCN)N(N=C(C)C)c1ccccc1
InChIInChI=1S/C14H22N4/c1-12(2)16-18(13(3)17(4)11-10-15)14-8-6-5-7-9-14/h5-9H,3,10-11,15H2,1-2,4H3
InChIKeyUCBXXYOVTMGTLV-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.25
Rot. Bonds6

About 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine

1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine (PubChem CID 123860955) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine
PubChem CID123860955
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine
SMILESC=C(N(C)CCN)N(N=C(C)C)c1ccccc1
InChIInChI=1S/C14H22N4/c1-12(2)16-18(13(3)17(4)11-10-15)14-8-6-5-7-9-14/h5-9H,3,10-11,15H2,1-2,4H3
InChIKeyUCBXXYOVTMGTLV-UHFFFAOYSA-N
XLogP2.25
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-aminoethyl)-N-phenylnitrous amide;hydrochloride
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CID 62878656
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CID 67884989
(Z)-1-aminoethylidene-(N-methylanilino)azanium
CID 23268771

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine (CID 123860955) is 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine is C=C(N(C)CCN)N(N=C(C)C)c1ccccc1.
What is the InChIKey of 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine?
The InChIKey is UCBXXYOVTMGTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(2)16-18(13(3)17(4)11-10-15)14-8-6-5-7-9-14/h5-9H,3,10-11,15H2,1-2,4H3.
What are the key properties of 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine?
1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine has a molecular weight of 246.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-1-N-methyl-1-N'-phenyl-1-N'-(propan-2-ylideneamino)ethene-1,1-diamine is sourced from PubChem (CID 123860955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).