1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine

C8H18N2 — CID 130656147

IUPAC1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine
SMILESC=CCC(N)CN(C)CC
InChIInChI=1S/C8H18N2/c1-4-6-8(9)7-10(3)5-2/h4,8H,1,5-7,9H2,2-3H3
InChIKeyJTNUXGLJVMQCQE-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.84
Rot. Bonds5

About 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine

1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine (PubChem CID 130656147) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine
PubChem CID130656147
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine
SMILESC=CCC(N)CN(C)CC
InChIInChI=1S/C8H18N2/c1-4-6-8(9)7-10(3)5-2/h4,8H,1,5-7,9H2,2-3H3
InChIKeyJTNUXGLJVMQCQE-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N,2-dimethylpent-4-en-1-amine
CID 139352372
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
CID 130522843
pent-4-ene-1,2-diamine;silane
CID 174886622
(4S)-6-methylhept-1-en-4-amine
CID 55284878
6-methylideneoct-1-en-4-amine
CID 116660413
N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
(4S)-octa-1,7-dien-4-amine
CID 124537914
1-N,1-N-dibenzylpent-4-ene-1,2-diamine
CID 130698505
1-N-propan-2-ylpent-4-ene-1,2-diamine
CID 55289996
hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine (CID 130656147) is 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine is C=CCC(N)CN(C)CC.
What is the InChIKey of 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine?
The InChIKey is JTNUXGLJVMQCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-8(9)7-10(3)5-2/h4,8H,1,5-7,9H2,2-3H3.
What are the key properties of 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine?
1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-methylpent-4-ene-1,2-diamine is sourced from PubChem (CID 130656147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).