1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine

C15H24N2 — CID 91001797

IUPAC1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
SMILESC=CC(N)N(CC(=C)C=CC)CC(=C)C=CC
InChIInChI=1S/C15H24N2/c1-6-9-13(4)11-17(15(16)8-3)12-14(5)10-7-2/h6-10,15H,3-5,11-12,16H2,1-2H3
InChIKeyPBJIWKVFQIHYTJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.02
Rot. Bonds8

About 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine

1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine (PubChem CID 91001797) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
PubChem CID91001797
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
SMILESC=CC(N)N(CC(=C)C=CC)CC(=C)C=CC
InChIInChI=1S/C15H24N2/c1-6-9-13(4)11-17(15(16)8-3)12-14(5)10-7-2/h6-10,15H,3-5,11-12,16H2,1-2H3
InChIKeyPBJIWKVFQIHYTJ-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.02
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(Fluoromethyl)-1-methyl-2,7-dihydroazepin-2-amine
CID 132157830
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CID 163595306
1-N'-[(2Z,4Z)-4,5-difluoro-6-methylhepta-2,4,6-trienyl]-1-N-methylethane-1,1-diamine
CID 166888907
(2E,4E)-6-methyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine
CID 139250145
(2E)-4-methyl-N-(2-methylprop-2-enyl)penta-2,4-dien-1-amine
CID 139250146
(2E,4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-2,4-dien-1-amine
CID 139250147
(2E,4E)-4,6-dimethyl-N-(2-methylprop-2-enyl)hepta-2,4-dien-1-amine
CID 139250148
[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
1,4-bis(prop-2-enyl)-2H-pyridin-2-amine
CID 70447618
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-amine
CID 70596097
(Z)-N',N'-dimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine
CID 88268107
N',N'-dimethyl-N-[(2Z,4Z)-4-methylhexa-2,4-dienyl]ethane-1,2-diamine
CID 88945052

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine?
The IUPAC name of 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine (CID 91001797) is 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine?
The canonical SMILES for 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine is C=CC(N)N(CC(=C)C=CC)CC(=C)C=CC.
What is the InChIKey of 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine?
The InChIKey is PBJIWKVFQIHYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-9-13(4)11-17(15(16)8-3)12-14(5)10-7-2/h6-10,15H,3-5,11-12,16H2,1-2H3.
What are the key properties of 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine?
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine is sourced from PubChem (CID 91001797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).