dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine

C19H39N4+ — CID 142382697

IUPACdimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine
SMILESC/C=C(/N)CC.CC(C)N(c1ccc(N)cc1)C(C)C.C[NH2+]C
InChIInChI=1S/C12H20N2.C5H11N.C2H7N/c1-9(2)14(10(3)4)12-7-5-11(13)6-8-12;1-3-5(6)4-2;1-3-2/h5-10H,13H2,1-4H3;3H,4,6H2,1-2H3;3H,1-2H3/p+1/b;5-3+;
InChIKeyJBRSIFSYHWPZKM-PTDWBMLLSA-O
MW323.55 g/mol
LogP2.96
Rot. Bonds4

About dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine

dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine (PubChem CID 142382697) has the molecular formula C19H39N4+ and a molecular weight of 323.55 g/mol. Its IUPAC name is dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine.

Molecular Properties

Compound Namedimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine
PubChem CID142382697
Molecular FormulaC19H39N4+
Molecular Weight323.55 g/mol
Exact Mass323.32
IUPAC Namedimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine
SMILESC/C=C(/N)CC.CC(C)N(c1ccc(N)cc1)C(C)C.C[NH2+]C
InChIInChI=1S/C12H20N2.C5H11N.C2H7N/c1-9(2)14(10(3)4)12-7-5-11(13)6-8-12;1-3-5(6)4-2;1-3-2/h5-10H,13H2,1-4H3;3H,4,6H2,1-2H3;3H,1-2H3/p+1/b;5-3+;
InChIKeyJBRSIFSYHWPZKM-PTDWBMLLSA-O
XLogP2.96
TPSA71.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine?
The IUPAC name of dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine (CID 142382697) is dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine.
What is the SMILES notation for dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine?
The canonical SMILES for dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine is C/C=C(/N)CC.CC(C)N(c1ccc(N)cc1)C(C)C.C[NH2+]C.
What is the InChIKey of dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine?
The InChIKey is JBRSIFSYHWPZKM-PTDWBMLLSA-O. The full InChI is InChI=1S/C12H20N2.C5H11N.C2H7N/c1-9(2)14(10(3)4)12-7-5-11(13)6-8-12;1-3-5(6)4-2;1-3-2/h5-10H,13H2,1-4H3;3H,4,6H2,1-2H3;3H,1-2H3/p+1/b;5-3+;.
What are the key properties of dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine?
dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine has a molecular weight of 323.55 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;4-N,4-N-di(propan-2-yl)benzene-1,4-diamine;(E)-pent-2-en-3-amine is sourced from PubChem (CID 142382697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).