2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine

C16H32N4 — CID 123584431

IUPAC2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine
SMILESC/C=C(NCC(C)(C)CNC(C)/C(C)=N/C)/C(C)=N/C
InChIInChI=1S/C16H32N4/c1-9-15(14(4)18-8)20-11-16(5,6)10-19-13(3)12(2)17-7/h9,13,19-20H,10-11H2,1-8H3/b15-9-,17-12+,18-14+
InChIKeyHPYABLCRGSDOGY-QMSQIERRSA-N
MW280.46 g/mol
LogP2.67
Rot. Bonds8

About 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine

2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine (PubChem CID 123584431) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine
PubChem CID123584431
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine
SMILESC/C=C(NCC(C)(C)CNC(C)/C(C)=N/C)/C(C)=N/C
InChIInChI=1S/C16H32N4/c1-9-15(14(4)18-8)20-11-16(5,6)10-19-13(3)12(2)17-7/h9,13,19-20H,10-11H2,1-8H3/b15-9-,17-12+,18-14+
InChIKeyHPYABLCRGSDOGY-QMSQIERRSA-N
XLogP2.67
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,5-Bis(2,2-dimethylpropylamino)-4-(2,2-dimethylpropylimino)cyclohexa-2,5-dien-1-ylidene]-(2,2-dimethylpropyl)azanium chloride
CID 139119792
1-N,4-N-dibutyl-3,6-bis(butylimino)cyclohexa-1,4-diene-1,4-diamine
CID 168305490
(4E)-N-(Butan-2-yl)-4-[(butan-2-yl)imino]pent-2-en-2-amine
CID 71427987
(Z)-4-[3-(dimethylamino)propylimino]-N-propan-2-ylpent-2-en-2-amine
CID 101561718
N-(3-iminobutan-2-yl)-N'-[(Z)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine
CID 123523846
N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine
CID 123834501
2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(E)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine
CID 123882963
(Z)-N-butan-2-yl-4-butan-2-yliminopent-2-en-2-amine
CID 145722841
N-butan-2-yl-4-ethyliminopent-2-en-2-amine
CID 150474256
N-butan-2-yl-4-propyliminopent-2-en-2-amine
CID 152205895
N-butan-2-yl-4-(2-methylpropylimino)pent-2-en-2-amine
CID 152282092
N-butan-2-yl-4-methyliminopent-2-en-2-amine
CID 152732713

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine (CID 123584431) is 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine is C/C=C(NCC(C)(C)CNC(C)/C(C)=N/C)/C(C)=N/C.
What is the InChIKey of 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine?
The InChIKey is HPYABLCRGSDOGY-QMSQIERRSA-N. The full InChI is InChI=1S/C16H32N4/c1-9-15(14(4)18-8)20-11-16(5,6)10-19-13(3)12(2)17-7/h9,13,19-20H,10-11H2,1-8H3/b15-9-,17-12+,18-14+.
What are the key properties of 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine?
2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methyliminobutan-2-yl)-N'-[(Z)-4-methyliminopent-2-en-3-yl]propane-1,3-diamine is sourced from PubChem (CID 123584431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).