ethane-1,2-diamine;bis(hexadecanimidate)

C34H72N4O2-2 — CID 170842762

IUPACethane-1,2-diamine;bis(hexadecanimidate)
SMILESNCCN.[H]/N=C(\[O-])CCCCCCCCCCCCCCC.[H]/N=C(\[O-])CCCCCCCCCCCCCCC
InChIInChI=1S/2C16H33NO.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4/h2*2-15H2,1H3,(H2,17,18);1-4H2/p-2
InChIKeyXYARUYQKCUWQHX-UHFFFAOYSA-L
MW568.98 g/mol
LogP8.51
Rot. Bonds29

About ethane-1,2-diamine;bis(hexadecanimidate)

ethane-1,2-diamine;bis(hexadecanimidate) (PubChem CID 170842762) has the molecular formula C34H72N4O2-2 and a molecular weight of 568.98 g/mol. Its IUPAC name is ethane-1,2-diamine;bis(hexadecanimidate).

Molecular Properties

Compound Nameethane-1,2-diamine;bis(hexadecanimidate)
PubChem CID170842762
Molecular FormulaC34H72N4O2-2
Molecular Weight568.98 g/mol
Exact Mass568.57
IUPAC Nameethane-1,2-diamine;bis(hexadecanimidate)
SMILESNCCN.[H]/N=C(\[O-])CCCCCCCCCCCCCCC.[H]/N=C(\[O-])CCCCCCCCCCCCCCC
InChIInChI=1S/2C16H33NO.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4/h2*2-15H2,1H3,(H2,17,18);1-4H2/p-2
InChIKeyXYARUYQKCUWQHX-UHFFFAOYSA-L
XLogP8.51
TPSA145.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.98
LogP ≤ 58.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(8E,10E,12Z)-octadeca-8,10,12-trienimidate
CID 145462718
copper;ethane-1,2-diamine;bis(octanoate)
CID 158301561
heptyl octanimidate
CID 18721401
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
octan-1-amine;octanoate
CID 23330056
dodecan-1-amine;guanidine
CID 172680887
formic acid;octadecanimidamide
CID 160757976
2-iminotetradecane-1-thiol
CID 167079244
3-iminododecan-1-ol
CID 57239624
dodecan-1-amine;hydroxylamine
CID 175960605
dipotassium;2-aminoethanol;octadecanoic acid;carbonate
CID 86642449
heptyl 2-iminopropanoate
CID 174678170

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;bis(hexadecanimidate)?
The IUPAC name of ethane-1,2-diamine;bis(hexadecanimidate) (CID 170842762) is ethane-1,2-diamine;bis(hexadecanimidate).
What is the SMILES notation for ethane-1,2-diamine;bis(hexadecanimidate)?
The canonical SMILES for ethane-1,2-diamine;bis(hexadecanimidate) is NCCN.[H]/N=C(\[O-])CCCCCCCCCCCCCCC.[H]/N=C(\[O-])CCCCCCCCCCCCCCC.
What is the InChIKey of ethane-1,2-diamine;bis(hexadecanimidate)?
The InChIKey is XYARUYQKCUWQHX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H33NO.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4/h2*2-15H2,1H3,(H2,17,18);1-4H2/p-2.
What are the key properties of ethane-1,2-diamine;bis(hexadecanimidate)?
ethane-1,2-diamine;bis(hexadecanimidate) has a molecular weight of 568.98 g/mol, XLogP of 8.51, 29 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;bis(hexadecanimidate) is sourced from PubChem (CID 170842762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).