N'-tert-butyloctadec-9-ene-1,18-diamine

C22H46N2 — CID 123603296

IUPACN'-tert-butyloctadec-9-ene-1,18-diamine
SMILESCC(C)(C)NCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C22H46N2/c1-22(2,3)24-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23/h4-5,24H,6-21,23H2,1-3H3
InChIKeyJAFBZGQQSHLBJC-UHFFFAOYSA-N
MW338.62 g/mol
LogP6.35
Rot. Bonds17

About N'-tert-butyloctadec-9-ene-1,18-diamine

N'-tert-butyloctadec-9-ene-1,18-diamine (PubChem CID 123603296) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is N'-tert-butyloctadec-9-ene-1,18-diamine.

Molecular Properties

Compound NameN'-tert-butyloctadec-9-ene-1,18-diamine
PubChem CID123603296
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC NameN'-tert-butyloctadec-9-ene-1,18-diamine
SMILESCC(C)(C)NCCCCCCCCC=CCCCCCCCCN
InChIInChI=1S/C22H46N2/c1-22(2,3)24-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23/h4-5,24H,6-21,23H2,1-3H3
InChIKeyJAFBZGQQSHLBJC-UHFFFAOYSA-N
XLogP6.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 56.35
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyloctadec-9-ene-1,18-diamine?
The IUPAC name of N'-tert-butyloctadec-9-ene-1,18-diamine (CID 123603296) is N'-tert-butyloctadec-9-ene-1,18-diamine.
What is the SMILES notation for N'-tert-butyloctadec-9-ene-1,18-diamine?
The canonical SMILES for N'-tert-butyloctadec-9-ene-1,18-diamine is CC(C)(C)NCCCCCCCCC=CCCCCCCCCN.
What is the InChIKey of N'-tert-butyloctadec-9-ene-1,18-diamine?
The InChIKey is JAFBZGQQSHLBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2/c1-22(2,3)24-21-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23/h4-5,24H,6-21,23H2,1-3H3.
What are the key properties of N'-tert-butyloctadec-9-ene-1,18-diamine?
N'-tert-butyloctadec-9-ene-1,18-diamine has a molecular weight of 338.62 g/mol, XLogP of 6.35, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyloctadec-9-ene-1,18-diamine is sourced from PubChem (CID 123603296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).