(2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine

C17H34N2 — CID 138495177

IUPAC(2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine
SMILESCC(C)C1C(C)CC(C)(N)/C=C\C(C)(N)CC1(C)C
InChIInChI=1S/C17H34N2/c1-12(2)14-13(3)10-16(6,18)8-9-17(7,19)11-15(14,4)5/h8-9,12-14H,10-11,18-19H2,1-7H3/b9-8-
InChIKeyKZIFJVDCSVLURE-HJWRWDBZSA-N
MW266.47 g/mol
LogP3.71
Rot. Bonds1

About (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine

(2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine (PubChem CID 138495177) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine.

Molecular Properties

Compound Name(2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine
PubChem CID138495177
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine
SMILESCC(C)C1C(C)CC(C)(N)/C=C\C(C)(N)CC1(C)C
InChIInChI=1S/C17H34N2/c1-12(2)14-13(3)10-16(6,18)8-9-17(7,19)11-15(14,4)5/h8-9,12-14H,10-11,18-19H2,1-7H3/b9-8-
InChIKeyKZIFJVDCSVLURE-HJWRWDBZSA-N
XLogP3.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine?
The IUPAC name of (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine (CID 138495177) is (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine.
What is the SMILES notation for (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine?
The canonical SMILES for (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine is CC(C)C1C(C)CC(C)(N)/C=C\C(C)(N)CC1(C)C.
What is the InChIKey of (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine?
The InChIKey is KZIFJVDCSVLURE-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H34N2/c1-12(2)14-13(3)10-16(6,18)8-9-17(7,19)11-15(14,4)5/h8-9,12-14H,10-11,18-19H2,1-7H3/b9-8-.
What are the key properties of (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine?
(2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,4,6,6,8-pentamethyl-7-propan-2-ylcyclonon-2-ene-1,4-diamine is sourced from PubChem (CID 138495177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).