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

C23H46ClNO — CID 173372338

IUPAC(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(C)(C)NCC1CO1.Cl
InChIInChI=1S/C23H45NO.ClH/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;1H/b12-11-;
InChIKeyMRPFYXHVTCLFGL-AFEZEDKISA-N
MW388.08 g/mol
LogP7.21
Rot. Bonds18

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

(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride (PubChem CID 173372338) has the molecular formula C23H46ClNO and a molecular weight of 388.08 g/mol. Its IUPAC name is (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride.

Molecular Properties

Compound Name(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride
PubChem CID173372338
Molecular FormulaC23H46ClNO
Molecular Weight388.08 g/mol
Exact Mass387.33
IUPAC Name(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(C)(C)NCC1CO1.Cl
InChIInChI=1S/C23H45NO.ClH/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;1H/b12-11-;
InChIKeyMRPFYXHVTCLFGL-AFEZEDKISA-N
XLogP7.21
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.08
LogP ≤ 57.21
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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Related Compounds

2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine
CID 53870258
2,2,6,6-Tetramethyl-8-(3-methyl-3-propyloxiran-2-yl)-1,7-diazacyclododec-3-ene
CID 123195484
N-[2-(1-methoxyethyl)pent-3-enyl]-5-methyldecan-5-amine
CID 123676668
[(Z)-18-methylnonadec-9-enyl]-(oxiran-2-ylmethyl)azanium chloride
CID 140355517
18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine;hydrochloride
CID 173359513
(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine
CID 88511882
(Z)-18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine
CID 140355518
18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine
CID 173359514

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride?
The IUPAC name of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride (CID 173372338) is (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride.
What is the SMILES notation for (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride?
The canonical SMILES for (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride is CCCCCCCC/C=C\CCCCCCCC(C)(C)NCC1CO1.Cl.
What is the InChIKey of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride?
The InChIKey is MRPFYXHVTCLFGL-AFEZEDKISA-N. The full InChI is InChI=1S/C23H45NO.ClH/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;1H/b12-11-;.
What are the key properties of (Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride?
(Z)-2-methyl-N-(oxiran-2-ylmethyl)nonadec-10-en-2-amine;hydrochloride has a molecular weight of 388.08 g/mol, XLogP of 7.21, 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;hydrochloride is sourced from PubChem (CID 173372338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).