(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine

C23H45NO — CID 88511882

IUPAC(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(C)(C)NCC1CO1
InChIInChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2,3)24-20-22-21-25-22/h11-12,22,24H,4-10,13-21H2,1-3H3/b12-11-
InChIKeyHCPQKHXUVNRXPW-QXMHVHEDSA-N
MW351.62 g/mol
LogP6.79
Rot. Bonds18

About (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine

(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine (PubChem CID 88511882) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine.

Molecular Properties

Compound Name(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine
PubChem CID88511882
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(C)(C)NCC1CO1
InChIInChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2,3)24-20-22-21-25-22/h11-12,22,24H,4-10,13-21H2,1-3H3/b12-11-
InChIKeyHCPQKHXUVNRXPW-QXMHVHEDSA-N
XLogP6.79
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine?
The IUPAC name of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine (CID 88511882) is (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine.
What is the SMILES notation for (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine?
The canonical SMILES for (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine is CCCCCCCC/C=C\CCCCCCCC(C)(C)NCC1CO1.
What is the InChIKey of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine?
The InChIKey is HCPQKHXUVNRXPW-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2,3)24-20-22-21-25-22/h11-12,22,24H,4-10,13-21H2,1-3H3/b12-11-.
What are the key properties of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine?
(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine has a molecular weight of 351.62 g/mol, XLogP of 6.79, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine is sourced from PubChem (CID 88511882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).