(Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine

C38H58N2 — CID 67951528

IUPAC(Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine
SMILESC=CCCC/C(=C/N)CCC/C(=C/CC(C)C1=C2C=CC=CC2C(C2=CCCCC2)CC1)CNC1CCCCC1
InChIInChI=1S/C38H58N2/c1-3-4-7-15-31(28-39)16-14-17-32(29-40-34-20-10-6-11-21-34)25-24-30(2)35-26-27-36(33-18-8-5-9-19-33)38-23-13-12-22-37(35)38/h3,12-13,18,22-23,25,28,30,34,36,38,40H,1,4-11,14-17,19-21,24,26-27,29,39H2,2H3/b31-28-,32-25-
InChIKeyNXKUCIWTTZUYBK-KFDPOIOWSA-N
MW542.90 g/mol
LogP10.18
Rot. Bonds15

About (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine

(Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine (PubChem CID 67951528) has the molecular formula C38H58N2 and a molecular weight of 542.90 g/mol. Its IUPAC name is (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine.

Molecular Properties

Compound Name(Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine
PubChem CID67951528
Molecular FormulaC38H58N2
Molecular Weight542.90 g/mol
Exact Mass542.46
IUPAC Name(Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine
SMILESC=CCCC/C(=C/N)CCC/C(=C/CC(C)C1=C2C=CC=CC2C(C2=CCCCC2)CC1)CNC1CCCCC1
InChIInChI=1S/C38H58N2/c1-3-4-7-15-31(28-39)16-14-17-32(29-40-34-20-10-6-11-21-34)25-24-30(2)35-26-27-36(33-18-8-5-9-19-33)38-23-13-12-22-37(35)38/h3,12-13,18,22-23,25,28,30,34,36,38,40H,1,4-11,14-17,19-21,24,26-27,29,39H2,2H3/b31-28-,32-25-
InChIKeyNXKUCIWTTZUYBK-KFDPOIOWSA-N
XLogP10.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.90
LogP ≤ 510.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine?
The IUPAC name of (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine (CID 67951528) is (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine.
What is the SMILES notation for (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine?
The canonical SMILES for (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine is C=CCCC/C(=C/N)CCC/C(=C/CC(C)C1=C2C=CC=CC2C(C2=CCCCC2)CC1)CNC1CCCCC1.
What is the InChIKey of (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine?
The InChIKey is NXKUCIWTTZUYBK-KFDPOIOWSA-N. The full InChI is InChI=1S/C38H58N2/c1-3-4-7-15-31(28-39)16-14-17-32(29-40-34-20-10-6-11-21-34)25-24-30(2)35-26-27-36(33-18-8-5-9-19-33)38-23-13-12-22-37(35)38/h3,12-13,18,22-23,25,28,30,34,36,38,40H,1,4-11,14-17,19-21,24,26-27,29,39H2,2H3/b31-28-,32-25-.
What are the key properties of (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine?
(Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine has a molecular weight of 542.90 g/mol, XLogP of 10.18, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6Z)-6-[3-[4-(cyclohexen-1-yl)-2,3,4,4a-tetrahydronaphthalen-1-yl]butylidene]-N'-cyclohexyl-2-pent-4-enylhept-1-ene-1,7-diamine is sourced from PubChem (CID 67951528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).