7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine

C18H38N2 — CID 134502966

IUPAC7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine
SMILESC=C(CC(C)(C)CCC(C)(C)NC)NC(C)(C)CCC
InChIInChI=1S/C18H38N2/c1-10-11-18(7,8)20-15(2)14-16(3,4)12-13-17(5,6)19-9/h19-20H,2,10-14H2,1,3-9H3
InChIKeyAMRDCFBDGQRYNV-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.86
Rot. Bonds10

About 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine

7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine (PubChem CID 134502966) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine.

Molecular Properties

Compound Name7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine
PubChem CID134502966
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine
SMILESC=C(CC(C)(C)CCC(C)(C)NC)NC(C)(C)CCC
InChIInChI=1S/C18H38N2/c1-10-11-18(7,8)20-15(2)14-16(3,4)12-13-17(5,6)19-9/h19-20H,2,10-14H2,1,3-9H3
InChIKeyAMRDCFBDGQRYNV-UHFFFAOYSA-N
XLogP4.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine?
The IUPAC name of 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine (CID 134502966) is 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine.
What is the SMILES notation for 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine?
The canonical SMILES for 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine is C=C(CC(C)(C)CCC(C)(C)NC)NC(C)(C)CCC.
What is the InChIKey of 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine?
The InChIKey is AMRDCFBDGQRYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-10-11-18(7,8)20-15(2)14-16(3,4)12-13-17(5,6)19-9/h19-20H,2,10-14H2,1,3-9H3.
What are the key properties of 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine?
7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.86, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,4,4,7-tetramethyl-2-N-(2-methylpentan-2-yl)oct-1-ene-2,7-diamine is sourced from PubChem (CID 134502966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).