7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine

C28H52N2 — CID 130355901

IUPAC7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine
SMILESC=C(C)NC(CCC(=C)C(C)C1CCCCCCCCCCCCCC1)C(=C)NC
InChIInChI=1S/C28H52N2/c1-23(2)30-28(26(5)29-6)22-21-24(3)25(4)27-19-17-15-13-11-9-7-8-10-12-14-16-18-20-27/h25,27-30H,1,3,5,7-22H2,2,4,6H3
InChIKeyHRNYGMBLPNKJBZ-UHFFFAOYSA-N
MW416.74 g/mol
LogP8.27
Rot. Bonds9

About 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine

7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine (PubChem CID 130355901) has the molecular formula C28H52N2 and a molecular weight of 416.74 g/mol. Its IUPAC name is 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine.

Molecular Properties

Compound Name7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine
PubChem CID130355901
Molecular FormulaC28H52N2
Molecular Weight416.74 g/mol
Exact Mass416.41
IUPAC Name7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine
SMILESC=C(C)NC(CCC(=C)C(C)C1CCCCCCCCCCCCCC1)C(=C)NC
InChIInChI=1S/C28H52N2/c1-23(2)30-28(26(5)29-6)22-21-24(3)25(4)27-19-17-15-13-11-9-7-8-10-12-14-16-18-20-27/h25,27-30H,1,3,5,7-22H2,2,4,6H3
InChIKeyHRNYGMBLPNKJBZ-UHFFFAOYSA-N
XLogP8.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.74
LogP ≤ 58.27
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 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine?
The IUPAC name of 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine (CID 130355901) is 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine.
What is the SMILES notation for 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine?
The canonical SMILES for 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine is C=C(C)NC(CCC(=C)C(C)C1CCCCCCCCCCCCCC1)C(=C)NC.
What is the InChIKey of 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine?
The InChIKey is HRNYGMBLPNKJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2/c1-23(2)30-28(26(5)29-6)22-21-24(3)25(4)27-19-17-15-13-11-9-7-8-10-12-14-16-18-20-27/h25,27-30H,1,3,5,7-22H2,2,4,6H3.
What are the key properties of 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine?
7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine has a molecular weight of 416.74 g/mol, XLogP of 8.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentadecyl-2-N-methyl-6-methylidene-3-N-prop-1-en-2-yloct-1-ene-2,3-diamine is sourced from PubChem (CID 130355901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).