N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine

C21H34N2 — CID 143153357

IUPACN,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine
SMILESC=CCCCc1ccccc1N(CC(C)CNC)C(C)/C=C\C
InChIInChI=1S/C21H34N2/c1-6-8-9-13-20-14-10-11-15-21(20)23(19(4)12-7-2)17-18(3)16-22-5/h6-7,10-12,14-15,18-19,22H,1,8-9,13,16-17H2,2-5H3/b12-7-
InChIKeyNFNZBRNGFCFJCC-GHXNOFRVSA-N
MW314.52 g/mol
LogP4.82
Rot. Bonds11

About N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine

N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine (PubChem CID 143153357) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine
PubChem CID143153357
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine
SMILESC=CCCCc1ccccc1N(CC(C)CNC)C(C)/C=C\C
InChIInChI=1S/C21H34N2/c1-6-8-9-13-20-14-10-11-15-21(20)23(19(4)12-7-2)17-18(3)16-22-5/h6-7,10-12,14-15,18-19,22H,1,8-9,13,16-17H2,2-5H3/b12-7-
InChIKeyNFNZBRNGFCFJCC-GHXNOFRVSA-N
XLogP4.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine (CID 143153357) is N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine is C=CCCCc1ccccc1N(CC(C)CNC)C(C)/C=C\C.
What is the InChIKey of N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine?
The InChIKey is NFNZBRNGFCFJCC-GHXNOFRVSA-N. The full InChI is InChI=1S/C21H34N2/c1-6-8-9-13-20-14-10-11-15-21(20)23(19(4)12-7-2)17-18(3)16-22-5/h6-7,10-12,14-15,18-19,22H,1,8-9,13,16-17H2,2-5H3/b12-7-.
What are the key properties of N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine?
N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine has a molecular weight of 314.52 g/mol, XLogP of 4.82, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-[(Z)-pent-3-en-2-yl]-N'-(2-pent-4-enylphenyl)propane-1,3-diamine is sourced from PubChem (CID 143153357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).