7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine

C20H34N2 — CID 150033198

IUPAC7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine
SMILESCc1cc(C(C)C)c(C=C(N)CCCCCN)c(C(C)C)c1
InChIInChI=1S/C20H34N2/c1-14(2)18-11-16(5)12-19(15(3)4)20(18)13-17(22)9-7-6-8-10-21/h11-15H,6-10,21-22H2,1-5H3
InChIKeyDHRVDAOCVWHZQJ-UHFFFAOYSA-N
MW302.51 g/mol
LogP5.06
Rot. Bonds8

About 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine

7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine (PubChem CID 150033198) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine.

Molecular Properties

Compound Name7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine
PubChem CID150033198
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine
SMILESCc1cc(C(C)C)c(C=C(N)CCCCCN)c(C(C)C)c1
InChIInChI=1S/C20H34N2/c1-14(2)18-11-16(5)12-19(15(3)4)20(18)13-17(22)9-7-6-8-10-21/h11-15H,6-10,21-22H2,1-5H3
InChIKeyDHRVDAOCVWHZQJ-UHFFFAOYSA-N
XLogP5.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine?
The IUPAC name of 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine (CID 150033198) is 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine.
What is the SMILES notation for 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine?
The canonical SMILES for 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine is Cc1cc(C(C)C)c(C=C(N)CCCCCN)c(C(C)C)c1.
What is the InChIKey of 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine?
The InChIKey is DHRVDAOCVWHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-14(2)18-11-16(5)12-19(15(3)4)20(18)13-17(22)9-7-6-8-10-21/h11-15H,6-10,21-22H2,1-5H3.
What are the key properties of 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine?
7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine has a molecular weight of 302.51 g/mol, XLogP of 5.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-methyl-2,6-di(propan-2-yl)phenyl]hept-6-ene-1,6-diamine is sourced from PubChem (CID 150033198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).