(E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine

C29H44N2 — CID 12981045

IUPAC(E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine
SMILESC/C(=C\C(C)Nc1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H44N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-22,30-31H,1-10H3/b23-17+
InChIKeyMPRXMVYSXVYHML-HAVVHWLPSA-N
MW420.69 g/mol
LogP9.00
Rot. Bonds9

About (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine

(E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine (PubChem CID 12981045) has the molecular formula C29H44N2 and a molecular weight of 420.69 g/mol. Its IUPAC name is (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine.

Molecular Properties

Compound Name(E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine
PubChem CID12981045
Molecular FormulaC29H44N2
Molecular Weight420.69 g/mol
Exact Mass420.35
IUPAC Name(E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine
SMILESC/C(=C\C(C)Nc1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C29H44N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-22,30-31H,1-10H3/b23-17+
InChIKeyMPRXMVYSXVYHML-HAVVHWLPSA-N
XLogP9.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.69
LogP ≤ 59.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
CID 87626126
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[(E)-4-[(1S,2S)-2-[[(E)-4-[2,6-di(propan-2-yl)anilino]pent-3-en-2-ylidene]amino]cyclohexyl]iminopent-2-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 177499645
2-methyl-N-[(Z)-4-(2-methyl-6-propan-2-ylphenyl)iminopent-2-en-2-yl]-6-propan-2-ylaniline
CID 101126797
N-[1-[[2,6-di(propan-2-yl)phenyl]imino-diphenyl-λ5-phosphanyl]prop-1-en-2-yl]-2,6-di(propan-2-yl)aniline
CID 5242446
N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 67447227
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395
N-[bromo-[2,6-di(propan-2-yl)anilino]boranyl]-2,6-di(propan-2-yl)aniline
CID 139128549
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(1-phenylethenyl)-2,6-di(propan-2-yl)aniline
CID 102155026

Frequently Asked Questions

What is the IUPAC name of (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine?
The IUPAC name of (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine (CID 12981045) is (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine.
What is the SMILES notation for (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine?
The canonical SMILES for (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine is C/C(=C\C(C)Nc1c(C(C)C)cccc1C(C)C)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine?
The InChIKey is MPRXMVYSXVYHML-HAVVHWLPSA-N. The full InChI is InChI=1S/C29H44N2/c1-18(2)24-13-11-14-25(19(3)4)28(24)30-22(9)17-23(10)31-29-26(20(5)6)15-12-16-27(29)21(7)8/h11-22,30-31H,1-10H3/b23-17+.
What are the key properties of (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine?
(E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine has a molecular weight of 420.69 g/mol, XLogP of 9.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N,4-N-bis[2,6-di(propan-2-yl)phenyl]pent-2-ene-2,4-diamine is sourced from PubChem (CID 12981045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).