N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane

C15H30N2 — CID 142113021

IUPACN'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane
SMILESC/C=C\CN(C)CN.C1=CCCC=C1.CCC
InChIInChI=1S/C6H14N2.C6H8.C3H8/c1-3-4-5-8(2)6-7;1-2-4-6-5-3-1;1-3-2/h3-4H,5-7H2,1-2H3;1-4H,5-6H2;3H2,1-2H3/b4-3-;;
InChIKeyLWVRSJRUJVLNGM-GSBNXNDCSA-N
MW238.42 g/mol
LogP3.72
Rot. Bonds3

About N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane

N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane (PubChem CID 142113021) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane.

Molecular Properties

Compound NameN'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane
PubChem CID142113021
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane
SMILESC/C=C\CN(C)CN.C1=CCCC=C1.CCC
InChIInChI=1S/C6H14N2.C6H8.C3H8/c1-3-4-5-8(2)6-7;1-2-4-6-5-3-1;1-3-2/h3-4H,5-7H2,1-2H3;1-4H,5-6H2;3H2,1-2H3/b4-3-;;
InChIKeyLWVRSJRUJVLNGM-GSBNXNDCSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
ethane;N'-ethyl-N'-[(Z,2E)-2-ethylidenepent-3-enyl]methanediamine
CID 141892261
[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 142879430
N'-(2-cyclohexa-1,5-dien-1-ylethyl)-N'-methylmethanediamine
CID 143109925
N'-methyl-N'-[(Z)-3-[(Z)-prop-1-enyl]hex-3-enyl]methanediamine
CID 143110117
5-(Aminomethyl)-1,2-dihydropyridin-6-amine;ethane
CID 145498022
1-N,1-N'-diethylcyclohexa-2,4-diene-1,1-diamine
CID 150686114
1-N,1-N',1-N'-trimethylcyclohexa-2,4-diene-1,1-diamine
CID 152111467
N-methyl-5-[(2E,4Z)-3-methylhepta-2,4-dien-2-yl]-1,2-dihydropyridin-6-amine
CID 163933497
1-N'-[(Z)-amino-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1-N',2,2-trimethylpropane-1,1-diamine
CID 167066607
N'-methyl-N'-[(2Z,4Z)-octa-2,4-dien-4-yl]methanediamine
CID 167138374

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane?
The IUPAC name of N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane (CID 142113021) is N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane.
What is the SMILES notation for N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane?
The canonical SMILES for N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane is C/C=C\CN(C)CN.C1=CCCC=C1.CCC.
What is the InChIKey of N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane?
The InChIKey is LWVRSJRUJVLNGM-GSBNXNDCSA-N. The full InChI is InChI=1S/C6H14N2.C6H8.C3H8/c1-3-4-5-8(2)6-7;1-2-4-6-5-3-1;1-3-2/h3-4H,5-7H2,1-2H3;1-4H,5-6H2;3H2,1-2H3/b4-3-;;.
What are the key properties of N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane?
N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane has a molecular weight of 238.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-enyl]-N'-methylmethanediamine;cyclohexa-1,3-diene;propane is sourced from PubChem (CID 142113021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).