N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine

C10H20N2 — CID 154937187

IUPACN'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine
SMILESC=CCC(/C=C\C)N(C)CNC
InChIInChI=1S/C10H20N2/c1-5-7-10(8-6-2)12(4)9-11-3/h5-6,8,10-11H,1,7,9H2,2-4H3/b8-6-
InChIKeySZSRJCDEOPSSHI-VURMDHGXSA-N
MW168.28 g/mol
LogP1.62
Rot. Bonds6

About N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine

N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine (PubChem CID 154937187) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine.

Molecular Properties

Compound NameN'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine
PubChem CID154937187
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine
SMILESC=CCC(/C=C\C)N(C)CNC
InChIInChI=1S/C10H20N2/c1-5-7-10(8-6-2)12(4)9-11-3/h5-6,8,10-11H,1,7,9H2,2-4H3/b8-6-
InChIKeySZSRJCDEOPSSHI-VURMDHGXSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.62
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine?
The IUPAC name of N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine (CID 154937187) is N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine.
What is the SMILES notation for N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine?
The canonical SMILES for N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine is C=CCC(/C=C\C)N(C)CNC.
What is the InChIKey of N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine?
The InChIKey is SZSRJCDEOPSSHI-VURMDHGXSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-7-10(8-6-2)12(4)9-11-3/h5-6,8,10-11H,1,7,9H2,2-4H3/b8-6-.
What are the key properties of N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine?
N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine has a molecular weight of 168.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5Z)-hepta-1,5-dien-4-yl]-N,N'-dimethylmethanediamine is sourced from PubChem (CID 154937187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).