2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine

C22H41N — CID 123365299

IUPAC2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine
SMILESC=C(C)CCCCC(C)NC(CC(C)C)C(=C)C(C)CC(=C)C
InChIInChI=1S/C22H41N/c1-16(2)12-10-11-13-20(8)23-22(15-18(5)6)21(9)19(7)14-17(3)4/h18-20,22-23H,1,3,9-15H2,2,4-8H3
InChIKeyDNWJUXSHCZNWEL-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.67
Rot. Bonds13

About 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine

2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine (PubChem CID 123365299) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine.

Molecular Properties

Compound Name2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine
PubChem CID123365299
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine
SMILESC=C(C)CCCCC(C)NC(CC(C)C)C(=C)C(C)CC(=C)C
InChIInChI=1S/C22H41N/c1-16(2)12-10-11-13-20(8)23-22(15-18(5)6)21(9)19(7)14-17(3)4/h18-20,22-23H,1,3,9-15H2,2,4-8H3
InChIKeyDNWJUXSHCZNWEL-UHFFFAOYSA-N
XLogP6.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine?
The IUPAC name of 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine (CID 123365299) is 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine.
What is the SMILES notation for 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine?
The canonical SMILES for 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine is C=C(C)CCCCC(C)NC(CC(C)C)C(=C)C(C)CC(=C)C.
What is the InChIKey of 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine?
The InChIKey is DNWJUXSHCZNWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-16(2)12-10-11-13-20(8)23-22(15-18(5)6)21(9)19(7)14-17(3)4/h18-20,22-23H,1,3,9-15H2,2,4-8H3.
What are the key properties of 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine?
2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine has a molecular weight of 319.58 g/mol, XLogP of 6.67, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-5-methylidene-N-(7-methyloct-7-en-2-yl)non-8-en-4-amine is sourced from PubChem (CID 123365299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).