N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine

C13H27N3 — CID 142358669

IUPACN'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine
SMILESCC/C(C)=N/C=C(\C)CN(CC)CCNC
InChIInChI=1S/C13H27N3/c1-6-13(4)15-10-12(3)11-16(7-2)9-8-14-5/h10,14H,6-9,11H2,1-5H3/b12-10+,15-13+
InChIKeyUZZSKHHFHGIIKH-OYVSTQIOSA-N
MW225.38 g/mol
LogP2.30
Rot. Bonds8

About N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine

N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine (PubChem CID 142358669) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine
PubChem CID142358669
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine
SMILESCC/C(C)=N/C=C(\C)CN(CC)CCNC
InChIInChI=1S/C13H27N3/c1-6-13(4)15-10-12(3)11-16(7-2)9-8-14-5/h10,14H,6-9,11H2,1-5H3/b12-10+,15-13+
InChIKeyUZZSKHHFHGIIKH-OYVSTQIOSA-N
XLogP2.30
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(E)-2-methyl-3-piperazin-1-ylprop-1-enyl]pentan-3-imine
CID 142358601
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane
CID 142358667
N-[(E)-2-methyl-3-(2-methylpiperazin-1-yl)prop-1-enyl]propan-2-imine
CID 146665657
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine
CID 142358668
N'-[(3E)-4-(butan-2-ylideneamino)-3-methylbuta-1,3-dien-2-yl]ethane-1,2-diamine
CID 143280665

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine (CID 142358669) is N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine is CC/C(C)=N/C=C(\C)CN(CC)CCNC.
What is the InChIKey of N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine?
The InChIKey is UZZSKHHFHGIIKH-OYVSTQIOSA-N. The full InChI is InChI=1S/C13H27N3/c1-6-13(4)15-10-12(3)11-16(7-2)9-8-14-5/h10,14H,6-9,11H2,1-5H3/b12-10+,15-13+.
What are the key properties of N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine?
N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine has a molecular weight of 225.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(butan-2-ylideneamino)-2-methylprop-2-enyl]-N'-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 142358669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).