1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine

C14H22N2 — CID 143530136

IUPAC1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine
SMILESC=C(Nc1ccccc1)C(C)CCN(C)C
InChIInChI=1S/C14H22N2/c1-12(10-11-16(3)4)13(2)15-14-8-6-5-7-9-14/h5-9,12,15H,2,10-11H2,1,3-4H3
InChIKeyMXGXSDXGPWXKEK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.20
Rot. Bonds6

About 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine

1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine (PubChem CID 143530136) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine
PubChem CID143530136
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine
SMILESC=C(Nc1ccccc1)C(C)CCN(C)C
InChIInChI=1S/C14H22N2/c1-12(10-11-16(3)4)13(2)15-14-8-6-5-7-9-14/h5-9,12,15H,2,10-11H2,1,3-4H3
InChIKeyMXGXSDXGPWXKEK-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine (CID 143530136) is 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine is C=C(Nc1ccccc1)C(C)CCN(C)C.
What is the InChIKey of 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine?
The InChIKey is MXGXSDXGPWXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(10-11-16(3)4)13(2)15-14-8-6-5-7-9-14/h5-9,12,15H,2,10-11H2,1,3-4H3.
What are the key properties of 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine?
1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-4-N-phenylpent-4-ene-1,4-diamine is sourced from PubChem (CID 143530136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).