N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine

C9H20N2 — CID 144808694

IUPACN'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine
SMILESC/C=C/NCCCN(C)CC
InChIInChI=1S/C9H20N2/c1-4-7-10-8-6-9-11(3)5-2/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyFGDKEHCCQLHIHK-QPJJXVBHSA-N
MW156.27 g/mol
LogP1.45
Rot. Bonds6

About N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine

N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine (PubChem CID 144808694) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine
PubChem CID144808694
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine
SMILESC/C=C/NCCCN(C)CC
InChIInChI=1S/C9H20N2/c1-4-7-10-8-6-9-11(3)5-2/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyFGDKEHCCQLHIHK-QPJJXVBHSA-N
XLogP1.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
N-[(E)-prop-1-enyl]dodecan-1-amine
CID 88674859
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
(E)-N-ethyl-N-methylpent-3-en-1-amine
CID 147558495
N-methyl-N'-[(E)-prop-1-enyl]ethane-1,2-diamine
CID 121451302
N-ethyl-N-methyltridecan-1-amine
CID 71442842
N,N'-diethyl-N,N'-dimethylbutane-1,4-diamine;N-ethyl-N,N'-dimethyl-N'-pentylbutane-1,4-diamine;hexane
CID 160540999
N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;propane
CID 142350934
ethane;N-ethyl-N-methylpentan-1-amine
CID 142145247

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine (CID 144808694) is N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine is C/C=C/NCCCN(C)CC.
What is the InChIKey of N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine?
The InChIKey is FGDKEHCCQLHIHK-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-7-10-8-6-9-11(3)5-2/h4,7,10H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine?
N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-[(E)-prop-1-enyl]propane-1,3-diamine is sourced from PubChem (CID 144808694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).